762	466	658	0:SP2_SP3_SP3	C[3x6]	C[3x6]	Si[6]	3:4:4:	3:3:3:1:	3:3:4:4:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6a]-3:C[3x6]-3:C-4:C-4:	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[5x6])(CH3)2	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[5x6])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1
762	466	658	6:SP2_SP3_SP3	C[3x6]	C[5x6]	Si[6,6]	4:4:3:	4:4:3:3:	4:3:4:4:	C[5x6]-4:Si[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1
762	466	679	0:SP2_SP3_SP3	C[6]	C[6]	B[5a]	4:4:4:	3:4:1:1:	3:3:4:3:	B[5a]-4:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	114.1250	0.281	2	114.1250	0.079	2	114.1250	0.079	2	114.1250	0.079	2	114.1250	0.079	2	114.1250	0.079	2
762	466	727	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:2:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[3x6]-3:S[5a]-2:	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a])	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a]){1|H<1>,2|C<3>,5|C<4>}	125.7840	0.000	1	125.7840	0.000	1	125.7840	0.000	1	125.7840	0.000	1	125.7840	0.000	1	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H){2|C<3>,2|H<1>,4|C<4>}	118.7710	0.000	1	118.7710	0.000	1	118.7710	0.000	1	118.7710	0.000	1	118.7710	0.000	1	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	117.7460	0.000	1	117.7460	0.000	1	117.7460	0.000	1	117.7460	0.000	1	119.6800	7.481	2	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	119.6800	7.481	2	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:3:4:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H){1|B<4>,3|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	119.8800	3.422	2	119.8800	11.713	2	119.8800	11.713	2	119.8800	11.713	2	119.8800	11.713	2	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[6]-2:C[6]-4:	C[6]-3:S[6]-2:H-1:H-1:	N[5a]-3:C[6]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2{1|C<3>,1|N<2>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	118.1838	0.215	4	118.1838	0.046	4	118.1838	0.046	4	118.1838	0.046	4	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:	3:2:1:1:	2:2:3:	C[6]-3:C[5a]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	N[5a]-2:N[5a]-2:C[6]-3:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2){1|O<2>,2|C<3>,3|H<1>}	118.4950	0.000	1	118.4950	0.000	1	118.4950	0.000	1	118.4950	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-3:O[5a]-2:	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a])	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	116.7290	0.000	1	116.7290	0.000	1	116.7290	0.000	1	116.7290	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:	3:2:1:1:	3:3:2:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6])	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|N<2>,1|S<2>,3|H<1>}	119.6185	0.401	2	119.6185	0.161	2	119.6185	0.161	2	119.6185	0.161	2	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:	3:2:1:1:	3:3:3:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-3:S[6]-2:H-1:H-1:	N[5a]-3:C[6]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6])	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	119.6995	1.957	4	119.6995	3.830	4	119.6995	3.830	4	119.6995	3.830	4	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:2:	3:4:4:4:	3:3:2:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<4>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:3:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	121.1970	0.000	2	121.1970	0.000	2	121.1970	0.000	2	121.1970	0.000	2	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	N[5a]-3:N[5a]-2:C[6]-3:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){3|C<4>,3|H<1>}	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	116.5067	1.184	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:O[5a]-2:C[6]-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2){1|C<3>,2|C<4>,3|H<1>}	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	116.5067	1.184	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	116.5067	1.184	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	116.7590	0.148	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2){3|C<4>,4|H<1>}	116.9690	0.000	1	116.9690	0.000	1	116.9690	0.000	1	116.7590	0.148	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	116.9930	0.000	1	116.9930	0.000	1	116.9930	0.000	1	116.7590	0.148	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	4:3:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	117.6277	0.618	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	4:3:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	117.8700	0.000	1	117.8700	0.000	1	117.8700	0.000	1	117.6277	0.618	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	4:3:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C[6]-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[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)(C[6]C[5a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	117.6277	0.618	3	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:3:	4:3:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	121.6300	0.000	1	121.6300	0.000	1	121.6300	0.000	1	121.6300	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2){1|S<1>,2|C<4>,5|H<1>}	123.0065	2.262	2	123.0065	5.117	2	123.0065	5.117	2	123.0065	5.117	2	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	3:4:4:	3:4:2:2:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C-2:C-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	113.8100	0.000	1	113.8100	0.000	1	113.8100	0.000	1	113.8100	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	4:3:3:	3:3:3:1:	2:2:3:	C[6]-4:C[5a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5a]-2:O[5a]-2:C[6]-3:	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	0:SP2_SP2_SP3	C[6]	C[6]	C[5a]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[5a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2){2|C<4>,4|H<1>}	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	118.5753	6.465	36	118.8663	7.311	42
762	466	727	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:	3:2:4:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	114.3739	1.986	7	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.5750	0.396	3	115.5750	0.157	3	115.5750	0.157	3	115.5750	0.157	3	114.3739	1.986	7	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5a,6]	3:4:3:	4:3:4:4:	3:3:2:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-3:S[5a]-2:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	114.0190	0.473	3	114.0190	0.224	3	114.0190	0.224	3	114.0190	0.224	3	114.3739	1.986	7	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6,6]-3:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[3x6]	C[5a,6]	3:4:1:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[3x6]-4:O-1:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:	3:3:3:2:	3:3:3:	C[5a,6]-3:C[6,6]-4:O-1:	C[6]-3:C[6]-3:N[6,6]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	118.2340	0.000	1	118.2340	0.000	1	118.2340	0.000	1	118.2340	0.000	1	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:O-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O)	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O){1|C<4>,1|N<3>,4|H<1>}	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:2:2:	3:3:3:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O){2|C<3>,2|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O){1|C<4>,2|O<2>,3|H<1>}	112.4487	0.583	4	112.4487	0.340	4	112.4487	0.340	4	112.4487	0.340	4	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:3:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:4:4:	3:3:2:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a]){3|H<1>,4|C<4>}	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	110.5350	18.642	2	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:4:4:	3:3:2:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){3|C<4>,4|H<1>}	113.5880	0.000	1	113.5880	0.000	1	113.5880	0.000	1	110.5350	18.642	2	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	3:4:3:	4:4:3:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,2|C<4>,3|H<1>}	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5a,6]	4:3:1:	4:4:3:1:	3:3:2:	C[6,6]-4:C[5a,6]-3:O-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a])	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	113.6240	8.461	11	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:2:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:2:4:4:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O)	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2{3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,2|C<3>,2|F<1>}	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H){5|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2{1|C<3>,2|N<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	121.4010	0.000	1	121.4010	0.000	1	121.4010	0.000	1	117.2730	13.706	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2{1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	117.2730	13.706	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	117.2730	13.706	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	113.4235	0.165	2	113.4235	0.027	2	113.4235	0.027	2	112.8505	3.902	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	112.8505	3.902	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	112.8505	3.902	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	114.7635	0.019	2	114.7635	0.000	2	114.4153	0.364	3	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	113.7190	0.000	1	113.7190	0.000	1	114.4153	0.364	3	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.3340	0.000	1	116.3340	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,4|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){3|C<4>,4|H<1>}	116.9100	0.000	1	116.9100	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	115.1990	0.000	1	115.1990	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.0510	0.000	1	115.1857	0.342	11	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.7025	1.435	2	115.1857	0.342	11	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	115.5430	0.000	1	115.1857	0.342	11	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	115.0063	0.277	7	115.1857	0.342	11	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	114.3325	0.148	2	114.3325	0.022	2	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	113.9640	0.000	1	113.9640	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	114.2570	0.000	1	114.0385	0.095	2	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	113.8200	0.000	1	114.0385	0.095	2	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	114.7140	0.000	1	114.7140	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	114.8660	0.000	1	114.8660	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	114.7730	0.000	1	114.7730	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	115.5260	0.000	1	115.5260	0.000	1	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	114.8200	0.000	1	115.0585	0.114	2	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,2|C<4>,4|H<1>}	115.2970	0.000	1	115.0585	0.114	2	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	114.8985	0.454	4	114.8985	0.206	4	115.0270	0.514	29	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	114.4630	0.000	1	114.4020	0.007	2	114.2487	0.201	12	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	114.3410	0.000	1	114.4020	0.007	2	114.2487	0.201	12	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	113.8135	0.175	2	113.8135	0.031	2	114.2487	0.201	12	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	114.4813	0.196	7	114.4813	0.038	7	114.2487	0.201	12	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	113.1840	0.000	1	113.1840	0.000	1	114.2487	0.201	12	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	115.7500	0.000	1	115.7500	0.000	1	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	114.8850	0.000	1	114.8850	0.000	1	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	116.1540	1.229	4	116.1540	1.509	4	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.3460	0.000	1	116.2318	0.514	6	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	116.7615	0.320	2	116.2318	0.514	6	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	116.4720	0.000	1	116.2318	0.514	6	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	116.7240	0.000	1	116.2318	0.514	6	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	115.3260	0.000	1	116.2318	0.514	6	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	114.8530	0.000	1	114.8530	0.000	1	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	115.2530	0.000	1	115.2530	0.000	1	115.9106	0.814	14	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	116.1690	0.000	1	116.1690	0.000	1	116.9430	0.473	3	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){3|C<4>,4|H<1>}	117.3300	0.216	2	117.3300	0.047	2	116.9430	0.473	3	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:S-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S)	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	115.1604	0.981	62	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:2:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	114.1882	0.190	5	114.1882	0.036	5	114.1882	0.036	5	114.1882	0.036	5	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	113.8405	0.954	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	112.8800	0.000	1	112.8800	0.000	1	113.5975	1.030	2	113.8405	0.954	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	114.3150	0.000	1	114.3150	0.000	1	113.5975	1.030	2	113.8405	0.954	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	114.9770	0.000	1	114.9770	0.000	1	114.9770	0.000	1	113.8405	0.954	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.7790	0.000	1	112.7790	0.000	1	113.4933	1.049	3	113.4933	1.049	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	113.8505	1.155	2	113.8505	1.333	2	113.4933	1.049	3	113.4933	1.049	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	3:4:4:2:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:O-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.9610	0.177	4	114.9610	0.031	4	114.9610	0.031	4	114.9610	0.031	4	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:Br-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br){1|O<2>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Br<1>,1|S<4>,2|C<3>,2|C<4>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	112.6615	0.014	2	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl){1|O<2>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Cl<1>,1|S<4>,2|C<3>,2|C<4>}	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.6615	0.014	2	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	118.0133	12.267	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6,6a]-3:C[5a,5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	121.2090	0.000	1	121.2090	0.000	1	121.2090	0.000	1	118.0133	12.267	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H){2|C<3>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){2|C<3>,2|H<1>,2|S<2>,3|C<4>}	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	118.0133	12.267	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	115.4710	0.000	1	115.4710	0.000	1	113.9905	4.384	2	115.0463	5.536	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS)	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2{1|C<3>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	112.5100	0.000	1	112.5100	0.000	1	113.9905	4.384	2	115.0463	5.536	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,5|H<1>}	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	115.0463	5.536	3	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-2:	C[6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:2:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N){2|C<4>,4|H<1>}	115.3250	0.000	1	115.3250	0.000	1	115.3250	0.000	1	115.3250	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:2:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:2:4:4:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:3:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|N<3>,6|H<1>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	111.5920	19.121	2	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	114.6840	0.000	1	114.6840	0.000	1	114.6840	0.000	1	111.5920	19.121	2	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH)	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){2|C<4>,4|H<1>}	113.8750	0.000	1	113.8750	0.000	1	112.6930	2.794	2	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	111.5110	0.000	1	111.5110	0.000	1	112.6930	2.794	2	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	115.2083	0.136	3	115.2083	0.019	3	114.9080	0.373	4	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,1|S<4>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	114.0070	0.000	1	114.0070	0.000	1	114.9080	0.373	4	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C){1|C<4>,5|H<1>}	113.7780	0.946	2	113.7780	0.895	2	113.7780	0.895	2	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C){2|C<3>,2|C<4>,4|H<1>}	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	113.9930	2.148	10	114.6800	3.292	116	114.5899	3.631	136
762	466	727	6:SP2_SP2_SP3	C[6]	C[6]	C[5a,6]	3:4:3:	3:4:3:3:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)2{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)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	114.6800	3.292	116	114.5899	3.631	136
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|O<1>,6|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	123.5618	0.112	4	123.5618	0.012	4	123.5618	0.012	4	123.5618	0.012	4	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6a]-3:N[6]-2:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]){1|Ir<6>,3|C<3>,3|C<4>,3|H<1>}	127.7383	1.109	3	127.7383	1.229	3	127.7383	1.229	3	127.7383	1.229	3	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:4:1:	3:3:3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6a]-3:N[6]-3:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]Ir)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|Ir<6>,1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	129.3510	0.336	3	129.3510	0.113	3	129.3510	0.113	3	129.3510	0.113	3	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|N<3>,6|H<1>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>,3|C<4>}	124.8380	0.000	1	123.9055	1.739	2	123.9055	1.739	2	123.9055	1.739	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,3|N<3>,6|H<1>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<6>,2|Si<4>,1|H<1>,2|C<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	122.9730	0.000	1	123.9055	1.739	2	123.9055	1.739	2	123.9055	1.739	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:4:4:	3:3:1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|N<3>,6|H<1>}	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>,3|C<4>}	123.5623	0.576	4	123.5623	0.331	4	123.5623	0.331	4	123.5623	0.331	4	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	125.3520	0.711	4	125.3520	0.506	4	125.3520	0.506	4	124.2456	1.432	16	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[3x6]2)2(O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2)2(O){2|C<4>,2|H<1>,5|C<3>}	123.3031	0.315	9	123.3031	0.099	9	123.3031	0.099	9	124.2456	1.432	16	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	126.2980	0.000	1	126.2980	0.000	1	126.2980	0.000	1	124.2456	1.432	16	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	125.4140	0.000	1	125.4140	0.000	1	125.2480	0.055	2	124.2456	1.432	16	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	125.0820	0.000	1	125.0820	0.000	1	125.2480	0.055	2	124.2456	1.432	16	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H){1|H<1>,3|C<3>,4|C<4>}	126.0020	0.000	1	125.5930	0.335	2	125.5930	0.335	2	125.5930	0.335	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H){2|H<1>,3|C<3>,3|C<4>}	125.1840	0.000	1	125.5930	0.335	2	125.5930	0.335	2	125.5930	0.335	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>}	125.6142	0.919	4	125.6142	0.845	4	125.6142	0.845	4	125.6142	0.845	4	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:N[3x6]-3:C[6]-3:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:2:1:	3:2:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	123.3740	0.000	1	123.3740	0.000	1	123.3740	0.000	1	123.3740	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:O[6,6]-2:H-1:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H)	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	122.1560	0.000	1	122.1560	0.000	1	122.1560	0.000	1	122.1560	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	125.2890	0.000	1	125.2890	0.000	1	125.2890	0.000	1	125.2890	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	123.5850	1.160	2	123.5850	1.345	2	123.5850	1.345	2	123.5850	1.345	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-4:O-1:	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	C[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](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	125.7570	0.000	1	125.7570	0.000	1	125.7570	0.000	1	125.7570	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6]-4:Br-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	127.3140	0.000	1	127.6940	0.289	2	127.6940	0.289	2	127.6940	0.289	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6]-4:Br-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	128.0740	0.000	1	127.6940	0.289	2	127.6940	0.289	2	127.6940	0.289	2	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[4x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	124.6650	0.000	1	124.6650	0.000	1	124.6650	0.000	1	124.6650	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	124.8269	3.628	51	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[4x6]-4:C[4x6]-4:C[6]-3:	C[6x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H)	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	123.3140	0.000	1	123.3140	0.000	1	123.3140	0.000	1	123.3140	0.000	1	123.3140	0.000	1	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|Si<4>,2|C<3>,2|O<2>,4|C<4>}	127.7500	0.000	1	126.9847	0.294	7	126.9847	0.294	7	126.9847	0.294	7	127.0029	0.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	126.5023	0.361	3	126.9847	0.294	7	126.9847	0.294	7	126.9847	0.294	7	127.0029	0.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<3>,5|C<4>}	127.3590	0.000	1	126.9847	0.294	7	126.9847	0.294	7	126.9847	0.294	7	127.0029	0.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	127.1385	0.180	2	126.9847	0.294	7	126.9847	0.294	7	126.9847	0.294	7	127.0029	0.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	4:3:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H){1|O<1>,3|C<3>,4|C<4>}	127.1300	0.000	1	127.1300	0.000	1	127.1300	0.000	1	127.1300	0.000	1	127.0029	0.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.8045	0.667	6	123.3603	5.083	10	123.3489	2.021	31	123.3489	2.021	31	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.6940	1.551	4	123.3603	5.083	10	123.3489	2.021	31	123.3489	2.021	31	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	122.4980	0.445	6	123.3048	0.897	17	123.3489	2.021	31	123.3489	2.021	31	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	123.7386	1.022	7	123.3048	0.897	17	123.3489	2.021	31	123.3489	2.021	31	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|Ru<6>,2|C<4>,2|H<1>,3|C<3>}	123.7560	0.595	4	123.3048	0.897	17	123.3489	2.021	31	123.3489	2.021	31	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,2|C<4>,2|H<1>}	123.5080	0.360	4	123.5080	0.129	4	123.3489	2.021	31	123.3489	2.021	31	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	3:4:1:1:	4:3:1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){1|C<3>,3|H<1>,5|C<4>}	122.9830	0.451	2	122.7960	0.207	3	122.7960	0.207	3	122.7960	0.207	3	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	3:4:1:1:	4:3:1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){3|H<1>,6|C<4>}	122.4220	0.000	1	122.7960	0.207	3	122.7960	0.207	3	122.7960	0.207	3	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	124.9730	8.487	2	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	124.9730	8.487	2	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[3x6]-3:C[6]-3:I-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	124.8750	0.000	1	124.8750	0.000	1	124.8750	0.000	1	124.8750	0.000	1	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	127.9090	0.000	1	127.9090	0.000	1	127.9090	0.000	1	127.9090	0.000	1	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:4:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[3x6]-3:C[6]-3:C-4:	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	125.3115	1.187	2	125.3115	1.410	2	125.3115	1.410	2	125.3115	1.410	2	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H)	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,4|C<4>}	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6]-3:C[6]-3:O-2:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH){2|C<3>,6|C<4>}	123.7110	0.000	1	123.7110	0.000	1	123.7110	0.000	1	123.7110	0.000	1	123.6304	2.556	42	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6]	C[6,6]	4:3:4:	3:2:1:1:	3:4:1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.5760	0.000	1	125.5760	0.000	1	125.5760	0.000	1	125.5760	0.000	1	125.8590	1.986	5	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6]	C[6,6]	4:3:4:	3:2:1:1:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H){2|C<4>,3|H<1>,3|O<2>}	127.6940	0.000	1	127.6940	0.000	1	127.6940	0.000	1	127.6940	0.000	1	125.8590	1.986	5	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:Br-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	125.6570	0.000	1	125.6570	0.000	1	125.6570	0.000	1	124.7550	1.627	2	125.8590	1.986	5	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]2N)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]2N)(C[3x6]C[4x6]C[6])(H){2|C<3>,4|C<4>,4|H<1>}	123.8530	0.000	1	123.8530	0.000	1	123.8530	0.000	1	124.7550	1.627	2	125.8590	1.986	5	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[3x6]	C[6]	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H){2|C<3>,2|H<1>,6|C<4>}	126.5150	0.000	1	126.5150	0.000	1	126.5150	0.000	1	126.5150	0.000	1	125.8590	1.986	5	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[4x6]	C[3x6]	C[4x6]	4:3:4:	3:4:4:1:	4:3:4:	C[5x6]-4:C[4x6]-3:C[3x6]-4:	C[4x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5x6]-4:C[4x6]-3:C[3x6]-4:	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H)	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H)	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H)	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H){2|S<2>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H){2|S<2>,3|C<4>,4|H<1>}	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H){2|S<2>,5|C<4>,6|H<1>}	126.8710	0.479	2	126.8710	0.230	2	126.8710	0.230	2	126.8710	0.230	2	126.8710	0.230	2	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	117.5182	0.552	4	117.5182	0.304	4	117.5182	0.304	4	117.5182	0.304	4	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	4:4:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	119.7365	0.053	2	119.7365	0.003	2	121.9668	6.778	4	121.9668	6.778	4	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	4:4:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	124.1970	0.660	2	124.1970	0.436	2	121.9668	6.778	4	121.9668	6.778	4	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	3:4:4:1:	3:4:4:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	124.5920	0.390	2	124.5920	0.152	2	124.5920	0.152	2	124.5920	0.152	2	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	3:4:4:1:	4:4:3:	C[6,6]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2{10|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2){8|C<4>,8|H<1>}	125.1650	0.175	2	125.1650	0.031	2	125.1650	0.031	2	125.1650	0.031	2	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:	C[3x6]-4:C[4x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[3x6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2){8|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2{10|H<1>,6|C<4>}	125.0660	0.000	1	125.0660	0.000	1	125.0660	0.000	1	125.0660	0.000	1	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){1|O<2>,6|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){10|H<1>,6|C<4>}	124.4550	0.356	2	124.4550	0.127	2	125.0825	0.222	8	125.0825	0.222	8	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){10|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){1|O<2>,6|C<4>,9|H<1>}	125.2740	0.341	4	125.2917	0.076	6	125.0825	0.222	8	125.0825	0.222	8	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){1|O<2>,6|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){10|H<1>,6|C<4>}	125.3270	0.165	2	125.2917	0.076	6	125.0825	0.222	8	125.0825	0.222	8	123.0086	10.043	21	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	3:4:4:	3:4:4:1:	3:3:3:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H){3|C<3>,4|C<4>,4|H<1>}	124.9340	1.195	2	124.9340	1.428	2	124.8568	0.486	4	124.8568	0.486	4	123.6936	7.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	3:4:4:	3:4:4:1:	3:3:3:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{1|O<1>,2|C<4>,3|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O){3|C<3>,4|C<4>,4|H<1>}	124.7795	0.074	2	124.7795	0.006	2	124.8568	0.486	4	124.8568	0.486	4	123.6936	7.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	118.0230	0.000	1	118.0230	0.000	1	118.0230	0.000	1	118.0230	0.000	1	123.6936	7.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	123.6936	7.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	125.3975	0.496	2	125.3975	0.246	2	125.3975	0.246	2	125.3975	0.246	2	123.6936	7.255	8	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	3:4:4:	4:4:3:1:	3:4:4:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	125.0865	0.665	2	125.0865	0.443	2	125.0865	0.443	2	125.0865	0.443	2	124.9953	0.246	3	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:3:	4:4:3:1:	3:4:4:	C[3x6]-4:C[4x6]-4:C[6,6]-3:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[3x6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2){8|C<4>,8|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2{10|H<1>,6|C<4>}	124.8130	0.000	1	124.8130	0.000	1	124.8130	0.000	1	124.8130	0.000	1	124.9953	0.246	3	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	116.6845	0.149	2	116.6845	0.022	2	116.6845	0.022	2	116.6845	0.022	2	121.3158	12.936	6	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[4x6]-4:C[3,6,6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:C[5,6,6]-4:C[6,6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H)	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH)	C[6](C[6,6]C[3,6,6]C[4x6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H){1|O<1>,3|H<1>,3|O<2>,7|C<4>}	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[4x6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	123.6315	0.323	4	123.6315	0.104	4	123.6315	0.104	4	123.6315	0.104	4	121.3158	12.936	6	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[5,6,6]-4:C[6,6]-3:	C[6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:O[6]-2:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6])	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H)	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])	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6]){1|C<3>,4|H<1>,4|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,3|H<1>,7|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>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:4:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O){2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:2:	3:2:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(O)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	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>}	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	119.9930	0.000	1	119.9930	0.000	1	119.9930	0.000	1	119.9930	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:2:	3:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){2|C<4>,2|H<1>,4|C<3>}	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.6375	0.202	2	121.6375	0.041	2	121.6375	0.041	2	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	118.0040	0.000	1	118.0040	0.000	1	118.0040	0.000	1	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	121.3075	1.259	2	120.5820	2.372	3	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.1310	0.000	1	120.5820	2.372	3	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.9060	0.000	1	120.3945	0.477	2	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	120.8830	0.000	1	120.3945	0.477	2	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.7930	0.000	1	119.7930	0.000	1	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.2940	0.000	1	121.8985	0.313	2	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.5030	0.000	1	121.8985	0.313	2	120.7656	1.346	8	120.6731	1.852	11	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:1:	3:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(O)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	117.5820	0.000	1	117.5820	0.000	1	117.5820	0.000	1	118.8140	1.156	3	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.4300	0.190	2	119.4300	0.036	2	119.4300	0.036	2	118.8140	1.156	3	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	120.1670	0.451	2	120.1670	0.204	2	120.1670	0.204	2	120.8275	0.719	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	120.8275	0.719	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.2290	0.000	1	121.1960	1.033	3	121.1960	1.033	3	120.8275	0.719	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6795	0.814	2	121.1960	1.033	3	121.1960	1.033	3	120.8275	0.719	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>}	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	120.2820	1.325	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	119.5750	0.000	1	119.8700	0.635	4	119.8700	0.635	4	120.2820	1.325	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	119.4240	0.103	2	119.8700	0.635	4	119.8700	0.635	4	120.2820	1.325	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){2|C<3>,4|C<4>}	121.0570	0.000	1	119.8700	0.635	4	119.8700	0.635	4	120.2820	1.325	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH){2|C<3>,4|C<4>}	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,6|C<4>}	121.6890	0.873	2	121.6890	0.761	2	121.6890	0.761	2	120.0718	3.026	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){7|C<4>}	120.2680	0.000	1	118.9937	1.313	3	118.9937	1.313	3	120.0718	3.026	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	118.0490	0.000	1	118.9937	1.313	3	118.9937	1.313	3	120.0718	3.026	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	118.6640	0.000	1	118.9937	1.313	3	118.9937	1.313	3	120.0718	3.026	5	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H){1|C<4>,7|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO){1|C<4>,2|H<1>,2|S<2>,4|C<3>}	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	116.5770	0.000	1	116.5770	0.000	1	116.5770	0.000	1	116.5770	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.4780	0.000	1	119.4205	0.007	2	119.4205	0.007	2	119.4205	0.007	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.3630	0.000	1	119.4205	0.007	2	119.4205	0.007	2	119.4205	0.007	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,6|C<4>}	117.2200	0.000	1	116.5223	0.418	3	116.5223	0.418	3	118.0563	9.690	4	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	116.1735	0.326	2	116.5223	0.418	3	116.5223	0.418	3	118.0563	9.690	4	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	118.0563	9.690	4	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	126.4350	0.000	1	126.2869	0.445	8	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	126.7290	0.000	1	126.2869	0.445	8	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	126.8540	0.284	2	126.2869	0.445	8	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	126.0600	0.000	1	126.2869	0.445	8	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	125.3760	0.598	2	126.2869	0.445	8	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	126.6110	0.000	1	126.2869	0.445	8	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	128.2110	0.000	1	128.2110	0.000	1	126.5007	0.801	9	126.5007	0.801	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	123.7070	0.000	1	123.7070	0.000	1	123.7070	0.000	1	123.7070	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	125.0830	0.000	1	125.0830	0.000	1	125.0830	0.000	1	125.0830	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|C<3>,4|C<4>}	124.0735	0.062	2	123.8613	0.137	3	123.8613	0.137	3	122.0011	2.552	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,5|C<4>}	123.4370	0.000	1	123.8613	0.137	3	123.8613	0.137	3	122.0011	2.552	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<2>,2|C<3>,3|C<4>}	122.2590	0.163	2	122.2590	0.026	2	121.0710	0.914	6	122.0011	2.552	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<3>,2|H<1>,4|C<4>}	120.3155	0.156	2	120.3155	0.024	2	121.0710	0.914	6	122.0011	2.552	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	120.9380	0.000	1	120.9380	0.000	1	121.0710	0.914	6	122.0011	2.552	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,6|C<4>}	120.3390	0.000	1	120.3390	0.000	1	121.0710	0.914	6	122.0011	2.552	9	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,3|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	118.7790	0.000	1	118.7790	0.000	1	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	118.4350	0.000	1	118.3435	0.017	2	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	118.2520	0.000	1	118.3435	0.017	2	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	119.8720	0.000	1	119.8720	0.000	1	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	119.9050	1.892	3	119.2812	1.908	20	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	121.4290	0.040	2	119.2812	1.908	20	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	118.8701	1.074	15	119.2812	1.908	20	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|H<1>,5|C<4>}	122.9690	0.000	1	122.9690	0.000	1	119.3572	2.170	25	119.3572	2.170	25	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	125.1970	2.362	2	125.1970	5.578	2	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	120.1730	0.000	1	119.5150	0.237	6	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	119.2468	0.311	4	119.5150	0.237	6	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	119.9300	0.000	1	119.5150	0.237	6	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	119.3960	0.000	1	119.3960	0.000	1	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	120.5300	0.000	1	119.0036	0.469	18	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	118.9040	0.535	9	119.0036	0.469	18	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	119.8460	0.103	2	119.0036	0.469	18	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	118.8960	0.000	1	119.0036	0.469	18	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	118.5622	0.463	5	119.0036	0.469	18	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	117.8000	0.000	1	117.8000	0.000	1	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	118.7520	0.000	1	118.7520	0.000	1	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	122.0430	0.000	1	122.0430	0.000	1	119.5847	3.234	30	119.5847	3.234	30	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH){2|H<1>,6|C<4>}	120.7665	0.861	2	120.7665	0.741	2	120.7665	0.741	2	120.7665	0.741	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	122.7105	0.301	2	122.7105	0.090	2	122.7105	0.090	2	122.7105	0.090	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|O<2>,4|C<4>}	125.4070	0.000	1	125.4070	0.000	1	125.4070	0.000	1	124.4745	1.739	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>,4|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|O<2>,5|C<4>}	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	124.4745	1.739	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	126.9770	0.000	1	127.7927	0.769	3	127.7927	0.769	3	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	128.2005	0.735	2	127.7927	0.769	3	127.7927	0.769	3	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	123.1670	0.000	1	123.1670	0.000	1	123.1670	0.000	1	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	122.4790	0.000	1	122.1365	0.235	2	122.8520	0.526	5	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<4>,2|O<2>,3|C<3>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	121.7940	0.000	1	122.1365	0.235	2	122.8520	0.526	5	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	123.3290	0.285	3	123.3290	0.081	3	122.8520	0.526	5	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H)	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H){8|C<4>}	120.6650	0.000	1	120.6650	0.000	1	122.8737	4.196	7	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	122.6300	0.000	1	122.6300	0.000	1	122.8737	4.196	7	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	125.3750	0.000	2	125.3750	0.000	2	122.8737	4.196	7	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,2|H<1>,5|C<4>}	122.7800	0.000	1	122.7800	0.000	1	122.8737	4.196	7	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>}	123.1780	0.000	1	123.1780	0.000	1	122.8737	4.196	7	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,6|C<4>}	120.1130	0.000	1	120.1130	0.000	1	122.8737	4.196	7	123.8076	5.836	16	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH){1|C<3>,6|C<4>}	121.5133	0.322	3	121.5133	0.104	3	121.5133	0.104	3	121.5133	0.104	3	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){11|H<1>,1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	122.1940	0.000	1	122.1940	0.000	1	122.5440	0.245	2	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,6|C<4>}	122.8940	0.000	1	122.8940	0.000	1	122.5440	0.245	2	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>}	124.2280	0.000	1	124.2280	0.000	1	124.4950	0.143	2	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>}	124.7620	0.000	1	124.7620	0.000	1	124.4950	0.143	2	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	123.0960	0.494	2	123.0960	0.244	2	122.2692	0.778	6	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	122.3900	0.000	1	122.3955	0.000	2	122.2692	0.778	6	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	122.4010	0.000	1	122.3955	0.000	2	122.2692	0.778	6	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	121.3160	0.658	2	121.3160	0.432	2	122.2692	0.778	6	122.7693	1.315	10	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO){1|H<1>,7|C<4>}	126.6380	0.000	1	126.6380	0.000	1	126.6380	0.000	1	126.6380	0.000	1	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	125.7135	0.289	2	125.7135	0.084	2	125.7135	0.084	2	125.7135	0.084	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	118.6235	0.325	2	118.6235	0.105	2	121.8370	13.804	4	121.8370	13.804	4	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	125.0505	0.035	2	125.0505	0.001	2	121.8370	13.804	4	121.8370	13.804	4	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	124.8930	0.031	2	124.8930	0.001	2	124.8930	0.001	2	124.8930	0.001	2	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.7920	0.000	1	122.7920	0.000	1	122.6472	0.571	6	122.6472	0.571	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,7|C<4>}	123.9190	0.000	1	122.6182	0.708	5	122.6472	0.571	6	122.6472	0.571	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){8|C<4>}	122.2930	0.489	4	122.6182	0.708	5	122.6472	0.571	6	122.6472	0.571	6	121.2591	7.510	178	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH)	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH){1|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	125.1740	0.000	1	125.1740	0.000	1	125.1740	0.000	1	125.1740	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	118.2860	0.000	1	118.2860	0.000	1	117.9050	0.290	2	117.9050	0.290	2	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	117.5240	0.000	1	117.5240	0.000	1	117.9050	0.290	2	117.9050	0.290	2	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	123.4740	0.160	2	123.4740	0.026	2	123.4740	0.026	2	123.4740	0.026	2	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	127.5975	0.667	2	127.5975	0.445	2	126.7890	1.041	4	126.7890	1.041	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	125.9805	0.252	2	125.9805	0.064	2	126.7890	1.041	4	126.7890	1.041	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	123.2750	1.657	2	123.2750	2.747	2	123.2750	2.747	2	123.2750	2.747	2	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	121.2153	0.671	3	121.4145	0.459	4	121.4145	0.459	4	121.4145	0.459	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	122.0120	0.000	1	121.4145	0.459	4	121.4145	0.459	4	121.4145	0.459	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:2:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	124.3800	0.000	1	124.3800	0.000	1	124.3800	0.000	1	124.3800	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	123.1560	0.000	1	123.1560	0.000	1	124.9643	5.257	3	124.9643	5.257	3	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	127.5430	0.000	1	127.5430	0.000	1	124.9643	5.257	3	124.9643	5.257	3	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	124.1940	0.000	1	124.1940	0.000	1	124.9643	5.257	3	124.9643	5.257	3	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	124.4505	0.165	2	124.4505	0.027	2	124.4505	0.027	2	124.4505	0.027	2	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	122.2300	0.000	1	122.2300	0.000	1	123.7192	1.530	5	123.7192	1.530	5	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	125.1460	0.000	1	125.1460	0.000	1	123.7192	1.530	5	123.7192	1.530	5	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	123.0740	0.000	1	123.0740	0.000	1	123.7192	1.530	5	123.7192	1.530	5	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	124.8470	0.000	1	124.8470	0.000	1	123.7192	1.530	5	123.7192	1.530	5	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{3|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	123.2990	0.000	1	123.2990	0.000	1	123.7192	1.530	5	123.7192	1.530	5	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	125.9980	0.000	1	125.9980	0.000	1	124.2848	1.913	4	124.2848	1.913	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	124.4040	0.000	1	124.4040	0.000	1	124.2848	1.913	4	124.2848	1.913	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	122.6230	0.000	1	122.6230	0.000	1	124.2848	1.913	4	124.2848	1.913	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	124.1140	0.000	1	124.1140	0.000	1	124.2848	1.913	4	124.2848	1.913	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	122.2173	0.383	3	122.2180	0.098	4	122.2180	0.098	4	122.2180	0.098	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	122.2200	0.000	1	122.2180	0.098	4	122.2180	0.098	4	122.2180	0.098	4	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	127.5180	0.000	1	127.5180	0.000	1	127.5180	0.000	1	127.5180	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	123.5508	5.074	40	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,3|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[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){2|H<1>,2|O<2>,4|C<3>}	121.5040	0.000	1	121.5040	0.000	1	121.5040	0.000	1	121.5040	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.3568	0.331	4	124.3568	0.109	4	124.3568	0.109	4	124.3568	0.109	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|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[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,3|O<2>,4|C<3>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:2:2:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:2:3:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.5520	0.000	1	124.5520	0.000	1	124.5520	0.000	1	124.5520	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:2:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	125.0330	0.506	3	125.0330	0.256	3	125.0330	0.256	3	125.0330	0.256	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	116.2790	0.000	1	116.2790	0.000	1	116.2790	0.000	1	116.7617	0.600	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	116.7617	0.600	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	116.3510	0.000	1	116.3510	0.000	1	116.3510	0.000	1	116.7617	0.600	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	115.5690	0.000	1	115.5690	0.000	1	115.5690	0.000	1	115.5690	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|Cl<1>,1|C<4>,1|H<1>,2|O<2>,3|C<3>}	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,4|C<4>,4|H<1>}	121.4120	0.000	1	122.4331	1.321	12	122.4331	1.321	12	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.5740	0.000	1	122.4331	1.321	12	122.4331	1.321	12	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	123.3783	0.603	6	122.4331	1.321	12	122.4331	1.321	12	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,4|C<4>,4|H<1>}	121.2353	0.430	4	122.4331	1.321	12	122.4331	1.321	12	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.8603	0.850	4	123.8603	0.723	4	123.5064	1.168	5	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.0910	0.000	1	122.0910	0.000	1	123.5064	1.168	5	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.0030	0.000	1	119.0030	0.000	1	118.4717	0.214	3	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.2580	0.000	1	118.2580	0.000	1	118.4717	0.214	3	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.1540	0.000	1	118.1540	0.000	1	118.4717	0.214	3	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	121.9850	4.301	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|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>}	123.6530	0.000	1	123.6530	0.000	1	123.6530	0.000	1	123.6530	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	126.9520	0.000	1	126.9520	0.000	1	126.9520	0.000	1	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	126.8735	0.841	2	126.8735	0.707	2	126.8735	0.707	2	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	119.2960	0.000	1	120.7198	0.909	4	120.7198	0.909	4	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	121.1800	0.000	1	120.7198	0.909	4	120.7198	0.909	4	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	121.3090	0.000	1	120.7198	0.909	4	120.7198	0.909	4	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){2|C<4>,2|N<3>,4|C<3>,4|H<1>}	121.0940	0.000	1	120.7198	0.909	4	120.7198	0.909	4	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){1|Cu<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	122.6270	0.069	2	122.6270	0.005	2	122.6270	0.005	2	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.2540	0.000	1	120.2540	0.000	1	120.2540	0.000	1	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5]-3:C[6]-3:	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{7|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	124.0250	0.000	1	124.0250	0.000	1	124.0250	0.000	1	123.0101	7.873	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4,4,6]-4:C[6,6]-3:H-1:	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[4,4,6]O[5x4]2C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[4,4,6]O[5x4]2C[6])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|C<6>,2|H<1>}	120.5050	0.000	1	120.5050	0.000	1	120.5050	0.000	1	120.5050	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	119.1428	2.353	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	119.1428	2.353	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	117.8595	0.688	2	117.8595	0.473	2	117.8595	0.473	2	119.1428	2.353	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){2|H<1>,4|C<4>}	121.6775	1.068	2	121.6775	1.142	2	121.6775	1.142	2	121.6775	1.142	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[3x6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H){9|C<4>}	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	118.0760	1.531	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H){9|C<4>}	118.9510	0.000	1	118.9510	0.000	1	118.9510	0.000	1	118.0760	1.531	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:4:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[5,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2Zr)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2Zr)(H){2|C<3>,6|C<4>}	119.1440	0.314	2	119.1440	0.099	2	119.1440	0.099	2	119.1440	0.099	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|C<5>,6|C<4>}	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	118.9017	0.750	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC){1|Cr<9>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,6|C<4>}	119.3280	0.641	2	119.3280	0.410	2	119.3280	0.410	2	118.9017	0.750	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:2:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH){1|S<2>,2|H<1>,3|C<3>}	118.5130	0.000	1	118.5130	0.000	1	119.0585	0.309	4	119.0585	0.309	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:2:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	119.2403	0.514	3	119.2403	0.265	3	119.0585	0.309	4	119.0585	0.309	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:2:2:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	120.8480	0.000	1	120.8480	0.000	1	120.8480	0.000	1	120.8480	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:2:4:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,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](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7400	0.000	1	122.7400	0.000	1	122.7400	0.000	1	122.7400	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|Ni<3>,1|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]Ru)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]Ru)(H){1|N<3>,2|H<1>,3|C<3>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<4>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<4>,2|C<3>,3|H<1>}	122.9615	0.432	2	121.8247	1.892	4	121.5253	1.352	6	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<5>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<5>,2|C<3>,3|H<1>}	120.6880	0.567	2	121.8247	1.892	4	121.5253	1.352	6	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])2(H)2{1|In<6>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,3|H<1>}	120.9265	0.087	2	120.9265	0.008	2	121.5253	1.352	6	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,3|H<1>}	123.2490	0.000	1	123.2490	0.000	1	123.2490	0.000	1	120.9800	6.654	10	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H)2{1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.7675	0.387	4	116.7675	0.150	4	117.3610	0.937	6	117.5110	0.728	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H)2{1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.5480	0.098	2	118.5480	0.010	2	117.3610	0.937	6	117.5110	0.728	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,2|N<3>,3|C<4>}	118.2340	0.000	1	118.2340	0.000	1	118.2340	0.000	1	117.5110	0.728	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.1170	0.000	1	117.5995	0.466	2	117.5995	0.466	2	117.5110	0.728	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.0820	0.000	1	117.5995	0.466	2	117.5995	0.466	2	117.5110	0.728	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	116.4940	0.000	2	116.4940	0.000	2	116.4940	0.000	2	116.4940	0.000	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.4483	0.070	4	119.3859	0.173	10	119.4941	0.260	14	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.3443	0.550	6	119.3859	0.173	10	119.4941	0.260	14	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H){1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.6030	0.724	2	119.6030	0.524	2	119.4941	0.260	14	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(COO)(H){1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.9265	0.885	2	119.9265	0.783	2	119.4941	0.260	14	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.5690	0.000	2	117.1224	0.282	5	117.0909	0.191	7	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.4913	0.233	3	117.1224	0.282	5	117.0909	0.191	7	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.0120	0.000	2	117.0120	0.000	2	117.0909	0.191	7	118.7512	1.573	22	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:3:	3:3:1:	N[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	C[6](C[6,6]N[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	C[6](C[6,6]N[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.2570	0.000	1	123.8770	0.474	5	123.8770	0.474	5	123.8770	0.474	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.0320	0.687	4	123.8770	0.474	5	123.8770	0.474	5	123.8770	0.474	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a])	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	116.6850	0.000	1	116.6850	0.000	1	116.6850	0.000	1	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	118.2040	0.007	2	118.6415	0.523	6	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.4915	0.641	2	118.6415	0.523	6	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	118.2290	0.191	2	118.6415	0.523	6	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.9613	0.804	4	117.9953	0.434	6	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	118.0635	0.466	2	117.9953	0.434	6	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	117.9685	0.042	2	117.8083	0.078	3	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	117.4880	0.000	1	117.8083	0.078	3	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.2085	0.111	2	119.2085	0.012	2	118.3331	0.536	17	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.7870	0.000	1	118.7870	0.000	1	118.7680	1.308	3	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.9020	0.000	1	119.9020	0.000	1	118.7680	1.308	3	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.6150	0.000	1	117.6150	0.000	1	118.7680	1.308	3	118.3168	0.723	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:3:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,4|C<4>}	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,2|Li<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Li<5>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>,3|C<4>}	123.4120	0.000	1	123.4120	0.000	1	123.4120	0.000	1	121.1623	4.316	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	121.1623	4.316	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	121.1623	4.316	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,5|C<4>}	120.8625	0.160	4	120.8625	0.026	4	120.8625	0.026	4	120.1720	2.403	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:3:4:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	120.1720	2.403	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	118.5075	34.603	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|C<4>,4|H<1>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	118.5075	34.603	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|Br<1>,1|C<3>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|C<4>,2|H<1>,3|C<3>}	118.9630	0.000	1	118.9630	0.000	1	118.9630	0.000	1	118.9630	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	122.3597	0.296	4	122.3597	0.088	4	122.3597	0.088	4	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Mo<10>,1|C<3>,2|C<4>,3|H<1>}	127.5290	0.000	1	127.5290	0.000	1	127.5290	0.000	1	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.7555	0.347	2	121.7555	0.121	2	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	121.2960	0.000	1	121.2960	0.000	1	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6320	0.000	1	123.2137	6.433	3	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.5045	1.694	2	123.2137	6.433	3	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.3480	0.000	1	122.3480	0.000	1	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.7005	0.571	2	125.7005	0.326	2	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	121.5390	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	121.0070	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.3760	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.2340	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	122.2180	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	123.0800	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	122.1370	0.086	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2440	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.4070	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	119.5710	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	120.1880	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8190	0.755	9	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Li<4>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	120.8740	0.206	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	121.7255	0.326	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2050	1.274	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.3300	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4720	0.286	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1830	0.325	3	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.8285	0.066	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.2417	1.620	4	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7963	0.359	3	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.6740	0.617	3	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.6050	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	120.7920	0.000	1	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	121.2990	0.208	2	122.4076	1.457	49	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){2|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.7680	0.000	1	122.7680	0.000	1	122.5243	1.867	59	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|O<2>,2|C<4>,3|H<1>}	118.0440	0.000	1	118.0440	0.000	1	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.2200	0.000	1	115.2200	0.000	1	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){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])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,2|C<4>,3|H<1>}	116.2180	0.000	1	116.2180	0.000	1	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]N)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]N)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.9090	0.000	1	117.9090	0.000	1	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.8700	0.000	1	118.7225	0.044	2	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.5750	0.000	1	118.7225	0.044	2	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8720	0.731	3	118.8720	0.535	3	118.0368	1.798	10	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2{1|B<4>,1|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	120.7270	0.000	1	120.7270	0.000	1	120.9327	0.830	9	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	122.5560	0.000	1	122.5560	0.000	1	120.9327	0.830	9	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	121.1883	0.496	3	120.8618	0.590	4	120.9327	0.830	9	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	119.8820	0.000	1	120.8618	0.590	4	120.9327	0.830	9	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	120.2000	0.000	1	120.2000	0.000	1	120.9327	0.830	9	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	120.7320	1.247	2	120.7320	1.556	2	120.9327	0.830	9	121.8634	4.201	83	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.9790	0.397	3	119.9790	0.157	3	119.9790	0.157	3	120.0255	0.114	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2{2|H<1>,2|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	120.0255	0.114	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|N<3>,2|C<4>,2|H<1>}	124.2110	0.000	1	124.2110	0.000	1	124.2110	0.000	1	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O)	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O){2|C<4>,2|O<2>,3|H<1>}	117.4590	0.000	1	117.4590	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	115.2927	0.193	3	115.2927	0.037	3	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O){2|C<4>,2|O<2>,3|H<1>}	118.1180	0.320	2	118.1180	0.102	2	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,3|H<1>}	118.3240	0.000	1	118.3240	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	116.7295	0.067	2	116.7295	0.005	2	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.6020	0.000	1	118.6020	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	119.8880	0.000	1	119.8880	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	118.4940	0.000	1	118.4940	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	119.4070	0.000	1	119.4070	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	118.7960	0.000	1	118.7960	0.000	1	117.6102	2.345	14	118.0503	5.082	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2030	0.000	1	119.8232	1.056	5	119.8232	1.056	5	118.9337	5.593	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4783	0.784	4	119.8232	1.056	5	119.8232	1.056	5	118.9337	5.593	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	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>}	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	118.9337	5.593	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,2|C<4>,2|O<2>}	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	116.5123	6.743	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	115.0710	0.000	1	115.0710	0.000	1	115.0135	0.007	2	116.5123	6.743	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	114.9560	0.000	1	114.9560	0.000	1	115.0135	0.007	2	116.5123	6.743	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:N[6]-2:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.6920	0.000	1	119.6920	0.000	1	119.6920	0.000	1	119.6920	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:3:3:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:2:1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O){3|H<1>,4|C<4>}	121.1225	0.081	2	121.1225	0.007	2	121.1225	0.007	2	122.0107	2.370	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,2|C<3>,3|C<4>}	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	122.0107	2.370	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0370	0.017	2	118.0370	0.000	2	118.5890	0.419	4	118.5890	0.419	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	119.2760	0.000	1	119.2760	0.000	1	118.5890	0.419	4	118.5890	0.419	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	119.0060	0.000	1	119.0060	0.000	1	118.5890	0.419	4	118.5890	0.419	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH){1|H<1>,2|C<3>,3|C<4>}	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	117.7340	0.305	2	117.7340	0.093	2	117.7340	0.093	2	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.4495	0.202	2	118.4495	0.041	2	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.2710	0.000	1	118.2710	0.000	1	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.7820	0.000	1	118.7820	0.000	1	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.7860	0.000	1	118.7860	0.000	1	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.2307	0.619	3	120.2307	0.383	3	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.6486	0.759	5	118.6486	0.577	5	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.5240	0.000	1	121.5240	0.000	1	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	116.9384	0.312	5	116.9384	0.098	5	118.5731	1.892	19	118.4932	1.771	21	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|N<3>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>,3|C<4>}	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O){7|C<4>}	116.9270	1.541	2	116.9270	2.376	2	118.0853	5.213	3	118.0853	5.213	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	3:4:4:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,6|C<4>}	120.4020	0.000	1	120.4020	0.000	1	118.0853	5.213	3	118.0853	5.213	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.5195	0.002	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	119.5195	0.002	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|O<2>,2|C<4>,4|H<1>}	118.6060	0.000	1	118.6060	0.000	1	119.0820	0.453	2	118.7349	0.166	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	119.5580	0.000	1	119.5580	0.000	1	119.0820	0.453	2	118.7349	0.166	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	118.6872	0.301	6	118.6357	0.094	7	118.6357	0.094	7	118.7349	0.166	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	118.3270	0.000	1	118.6357	0.094	7	118.6357	0.094	7	118.7349	0.166	9	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:2:3:	3:3:2:1:	3:4:1:	C[6]-4:O[6,6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6](C[6,6]O[6,6]C[6])(C[6]C[6]HO)(H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	127.2780	0.000	1	127.2780	0.000	1	127.2780	0.000	1	127.2780	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C[6,6]-3:	C[4,6]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.6690	0.246	2	114.6690	0.061	2	114.6690	0.061	2	119.5485	31.772	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.4280	0.129	2	124.4280	0.017	2	124.4280	0.017	2	119.5485	31.772	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	123.4040	0.000	1	123.4040	0.000	1	123.4040	0.000	1	123.4040	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	116.3865	0.803	2	116.3865	0.644	2	116.3865	0.644	2	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	117.7940	0.000	1	117.9773	0.598	3	117.9773	0.598	3	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	117.3120	0.000	1	117.9773	0.598	3	117.9773	0.598	3	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	118.8260	0.000	1	117.9773	0.598	3	117.9773	0.598	3	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.3140	0.238	2	117.3140	0.056	2	117.3140	0.056	2	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	118.2130	0.809	3	118.2130	0.655	3	118.1640	0.446	4	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	118.0170	0.000	1	118.0170	0.000	1	118.1640	0.446	4	117.6064	0.740	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.6270	0.000	1	116.1287	0.241	7	116.2095	0.259	8	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.3480	0.000	1	116.1287	0.241	7	116.2095	0.259	8	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.5290	0.000	1	116.1287	0.241	7	116.2095	0.259	8	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	115.8350	0.000	1	116.1287	0.241	7	116.2095	0.259	8	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.1873	0.590	3	116.1287	0.241	7	116.2095	0.259	8	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.7750	0.000	1	116.7750	0.000	1	116.2095	0.259	8	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.4790	0.590	4	117.4790	0.348	4	117.4790	0.348	4	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.8290	0.601	2	118.8290	0.361	2	119.1307	0.454	3	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.7340	0.000	1	119.7340	0.000	1	119.1307	0.454	3	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[5a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.8825	0.136	2	117.8825	0.019	2	117.8825	0.019	2	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.4725	0.091	2	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.4070	0.242	2	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.5645	0.005	2	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.5110	0.607	5	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.0121	0.544	27	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.3290	0.508	4	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.5335	0.554	15	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.6103	1.275	6	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.0375	0.428	4	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.6525	0.060	2	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.2357	0.910	12	118.3338	0.810	81	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7500	0.000	1	116.7500	0.000	1	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.8722	0.192	4	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.4295	0.056	2	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.7810	0.170	2	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.1725	0.047	2	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.0440	0.250	2	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.5025	0.733	2	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.0812	0.394	24	118.9815	0.185	38	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.9545	0.408	8	118.9545	0.167	8	118.5525	0.695	128	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.3940	0.000	1	118.3940	0.000	1	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.5657	1.335	4	118.5657	1.781	4	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.0370	0.641	2	118.8364	1.561	16	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.1160	0.000	1	118.8364	1.561	16	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.9315	0.257	2	118.8364	1.561	16	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.9830	0.826	2	118.8364	1.561	16	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.6045	0.948	2	118.8364	1.561	16	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.4506	0.679	7	118.8364	1.561	16	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.9850	0.000	1	118.9850	0.000	1	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.1190	0.000	1	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.4860	0.610	2	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.3250	0.000	1	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,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])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.9567	0.368	6	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,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])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.6470	1.130	7	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,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])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.1230	0.000	1	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.1080	0.445	3	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,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])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.9715	0.009	2	119.0467	0.991	23	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.1760	0.000	1	118.6848	0.182	5	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,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])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.0030	0.000	1	118.6848	0.182	5	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,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])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.7483	0.066	3	118.6848	0.182	5	118.8905	1.077	50	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	119.1160	0.000	1	119.1160	0.000	1	119.1160	0.000	1	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.8270	0.000	1	119.8270	0.000	1	119.1243	0.289	4	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.7630	0.000	1	118.8900	0.104	3	119.1243	0.289	4	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.9535	0.428	2	118.8900	0.104	3	119.1243	0.289	4	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.5120	0.000	1	117.5120	0.000	1	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	118.3970	0.000	1	117.8575	0.688	6	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	117.7496	0.879	5	117.8575	0.688	6	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.0320	0.000	1	120.0320	0.000	1	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.0415	0.849	2	118.2297	0.467	3	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.6060	0.000	1	118.2297	0.467	3	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.8190	0.000	1	118.8816	0.196	8	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.7840	0.000	1	118.8816	0.196	8	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.4470	0.000	1	118.8816	0.196	8	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.0006	0.524	5	118.8816	0.196	8	118.4437	0.715	19	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.2620	0.000	1	118.9810	1.034	2	118.9810	1.034	2	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.7000	0.000	1	118.9810	1.034	2	118.9810	1.034	2	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	116.0600	0.000	1	116.0600	0.000	1	115.8245	0.111	2	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	115.5890	0.000	1	115.5890	0.000	1	115.8245	0.111	2	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	118.5049	1.052	226	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:N-2:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	118.5264	2.244	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.4370	0.000	1	118.4370	0.000	1	118.0887	0.830	7	118.5264	2.244	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.9330	0.315	2	118.5750	1.286	3	118.0887	0.830	7	118.5264	2.244	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.8590	0.000	1	118.5750	1.286	3	118.0887	0.830	7	118.5264	2.244	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.4863	0.495	3	117.4863	0.245	3	118.0887	0.830	7	118.5264	2.244	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	118.4880	0.000	1	117.9383	0.231	3	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.6635	0.098	2	117.9383	0.231	3	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.1910	0.000	1	120.3660	2.761	2	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.5410	0.000	1	120.3660	2.761	2	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	120.4540	0.270	3	119.9810	0.621	6	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.5080	0.899	3	119.9810	0.621	6	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.6510	0.000	1	118.4355	0.093	2	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.2200	0.000	1	118.4355	0.093	2	119.3311	1.543	13	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	119.3195	1.427	14	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,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])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.4325	0.062	2	118.4325	0.004	2	118.4325	0.004	2	118.4325	0.004	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|C<3>,2|C<4>,3|H<1>}	114.8430	0.000	1	114.8430	0.000	1	114.8430	0.000	1	119.2778	6.155	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	120.4515	0.005	2	120.4515	0.000	2	120.3865	0.012	4	119.2778	6.155	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.3215	0.135	2	120.3215	0.018	2	120.3865	0.012	4	119.2778	6.155	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	122.4820	0.000	1	122.4820	0.000	1	122.4820	0.000	1	122.4820	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	121.8115	1.415	2	121.8115	2.002	2	122.4804	0.620	8	122.4804	0.620	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.7033	0.478	6	122.7033	0.229	6	122.4804	0.620	8	122.4804	0.620	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.7630	0.000	1	115.9675	0.084	2	115.9675	0.084	2	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.1720	0.000	1	115.9675	0.084	2	115.9675	0.084	2	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.7860	0.000	1	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.8820	0.000	1	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.3130	0.000	1	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.6100	0.000	1	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.7310	0.000	1	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.6170	0.720	3	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.2220	0.000	1	118.4883	0.215	9	118.4883	0.215	9	118.0300	1.220	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,4|C<3>}	124.6180	0.000	1	124.6180	0.000	1	124.6180	0.000	1	124.6180	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	124.1320	0.000	1	124.1320	0.000	1	124.1320	0.000	1	124.1320	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:2:1:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:O-2:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	126.9940	0.915	2	126.9940	0.837	2	126.9940	0.837	2	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	123.2790	0.000	1	123.2790	0.000	1	123.2790	0.000	1	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	120.0240	0.000	1	120.0240	0.000	1	120.0240	0.000	1	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	123.2300	0.000	1	123.2190	0.000	2	123.2190	0.000	2	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	123.2080	0.000	1	123.2190	0.000	2	123.2190	0.000	2	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	124.3640	0.000	1	124.3640	0.000	1	125.1030	1.092	2	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	125.8420	0.000	1	125.8420	0.000	1	125.1030	1.092	2	124.2419	5.624	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<3>,3|C<4>,6|H<1>}	123.4740	0.000	1	123.6655	0.073	2	123.6655	0.073	2	123.6655	0.073	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<4>,3|C<4>,6|H<1>}	123.8570	0.000	1	123.6655	0.073	2	123.6655	0.073	2	123.6655	0.073	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:Br-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	122.3577	5.310	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	122.9250	0.000	1	122.9250	0.000	1	121.3603	1.996	3	122.3577	5.310	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|N<3>,1|S<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	120.9780	0.000	1	120.9780	0.000	1	121.3603	1.996	3	122.3577	5.310	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	120.1780	0.000	1	120.1780	0.000	1	121.3603	1.996	3	122.3577	5.310	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:B[5]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2){1|C<3>,1|O<2>,7|C<4>,7|H<1>}	125.1880	0.000	1	125.1880	0.000	1	125.1880	0.000	1	126.1305	1.777	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	P[5]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B){4|C<4>,4|H<1>,5|C<3>}	127.0730	0.000	1	127.0730	0.000	1	127.0730	0.000	1	126.1305	1.777	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:2:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){2|H<1>,2|O<2>,6|C<4>}	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:2:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,6|C<4>}	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H){1|C<3>,5|C<4>,6|H<1>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	118.9170	0.000	1	118.9170	0.000	1	119.1445	0.104	2	120.7340	7.631	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	119.3720	0.000	1	119.3720	0.000	1	119.1445	0.104	2	120.7340	7.631	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	120.7340	7.631	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|C<4>}	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[3,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H){7|C<4>}	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:4:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,6|H<1>}	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	123.6990	0.000	1	123.6990	0.000	1	123.3657	0.528	8	123.3657	0.528	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H){1|C<4>,3|O<2>,4|H<1>}	123.2740	0.053	4	123.2740	0.003	4	123.3657	0.528	8	123.3657	0.528	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.8450	0.000	1	121.8450	0.000	1	123.3657	0.528	8	123.3657	0.528	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	124.1430	0.157	2	124.1430	0.025	2	123.3657	0.528	8	123.3657	0.528	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:2:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	124.9040	0.000	1	124.9040	0.000	1	124.9040	0.000	1	124.9040	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.8632	0.631	5	122.0034	0.350	7	122.5316	1.486	9	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	122.3540	0.404	2	122.0034	0.350	7	122.5316	1.486	9	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	123.6730	0.000	1	123.6730	0.000	1	122.5316	1.486	9	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	125.0870	0.000	1	125.0870	0.000	1	122.5316	1.486	9	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	126.4770	0.000	1	126.4770	0.000	1	126.4770	0.000	1	123.0693	4.397	12	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	126.2010	0.935	2	126.2010	0.874	2	126.2010	0.874	2	126.2010	0.874	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	124.0800	0.000	1	124.0800	0.000	1	124.0800	0.000	1	124.0800	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.0860	0.000	1	125.0860	0.000	1	125.0860	0.000	1	124.2404	3.023	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:Br-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br){2|C<3>,2|C<4>,4|H<1>}	124.9857	0.328	3	124.9857	0.107	3	124.9857	0.107	3	124.2404	3.023	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	124.2404	3.023	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|F<1>,6|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	123.9740	0.824	6	123.9740	0.678	6	123.9740	0.678	6	123.9740	0.678	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,1|O<2>,4|C<4>}	120.2155	0.573	2	120.2155	0.329	2	120.2155	0.329	2	120.2155	0.329	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Li<5>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	124.4600	0.000	1	124.4600	0.000	1	122.9990	1.601	3	122.9990	1.601	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Th<17>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Th<17>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	122.2685	0.026	2	122.2685	0.001	2	122.9990	1.601	3	122.9990	1.601	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	121.5740	0.575	3	121.5740	0.331	3	121.0951	0.412	11	121.0951	0.412	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	120.1010	0.000	1	120.1010	0.000	1	121.0951	0.412	11	121.0951	0.412	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	121.0683	0.881	3	120.9916	0.427	5	121.0951	0.412	11	121.0951	0.412	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	120.6390	0.000	1	120.9916	0.427	5	121.0951	0.412	11	121.0951	0.412	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	121.1140	0.000	1	120.9916	0.427	5	121.0951	0.412	11	121.0951	0.412	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){2|C<3>,5|C<4>}	121.1325	0.110	2	121.1325	0.012	2	121.0951	0.412	11	121.0951	0.412	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO){1|O<2>,3|H<1>,4|C<4>}	125.3190	0.000	1	125.3190	0.000	1	125.3190	0.000	1	125.3190	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){2|H<1>,6|C<4>}	123.6800	0.000	1	123.6800	0.000	1	124.2530	0.657	2	124.2530	0.657	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|C<3>,3|C<4>,4|H<1>}	124.8260	0.000	1	124.8260	0.000	1	124.2530	0.657	2	124.2530	0.657	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	123.0020	0.000	1	123.0020	0.000	1	123.0020	0.000	1	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	123.5560	0.000	1	123.0695	0.473	2	123.0695	0.473	2	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	122.5830	0.000	1	123.0695	0.473	2	123.0695	0.473	2	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	124.8040	0.000	1	124.8040	0.000	1	124.8040	0.000	1	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,3|H<1>,4|C<4>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){4|C<4>,4|H<1>}	122.2750	0.000	1	122.2750	0.000	1	122.2750	0.000	1	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.5585	0.264	2	122.5585	0.070	2	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	119.8620	0.000	1	119.8620	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.4725	0.142	2	120.4725	0.020	2	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.8570	0.000	1	120.8570	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){4|C<4>,4|H<1>}	120.2973	0.686	3	120.2973	0.471	3	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.7940	0.256	2	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.1971	0.509	8	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	121.7576	0.566	23	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.6368	0.632	6	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	119.8380	0.000	1	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	121.9690	0.764	2	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	121.0800	0.000	1	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	121.5535	0.467	2	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	121.9390	0.577	2	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.7408	0.119	4	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.0120	0.791	3	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.5370	0.000	1	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.4805	0.614	56	121.0603	0.924	111	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	122.1975	0.344	2	122.1975	0.119	2	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.2250	0.633	5	120.2250	0.401	5	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	119.5390	0.000	1	119.5390	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	120.2650	0.000	1	120.6360	0.275	2	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	121.0070	0.000	1	120.6360	0.275	2	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	121.4390	0.000	1	121.4390	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	121.0270	0.000	1	121.0270	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,5|H<1>}	120.4180	0.000	1	120.4180	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.1900	0.792	16	121.0722	0.824	17	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	119.1880	0.000	1	121.0722	0.824	17	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	123.8910	0.000	1	123.8910	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	123.2920	0.000	1	123.2920	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	121.0640	0.000	1	121.0640	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<7>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|Zr<7>,1|N<4>,2|H<1>,3|C<4>}	124.7705	0.309	2	124.7705	0.095	2	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	119.9120	0.000	1	119.9120	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	121.4800	0.000	1	120.9462	0.802	9	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.4610	0.342	4	120.9462	0.802	9	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	119.5415	0.112	2	120.9462	0.802	9	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	120.4460	0.000	1	120.9462	0.802	9	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	121.6630	0.000	1	120.9462	0.802	9	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.0400	0.000	1	121.1937	0.024	3	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.3510	0.000	1	121.1937	0.024	3	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.1900	0.000	1	121.1937	0.024	3	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<11>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.6370	0.000	1	122.6370	0.000	1	121.0961	1.109	169	121.1448	1.252	175	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:N-2:	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN)	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	121.5353	2.250	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC){4|C<4>,4|H<1>}	120.9590	0.000	1	120.9590	0.000	1	120.6840	0.151	2	121.5353	2.250	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){4|C<4>,4|H<1>}	120.4090	0.000	1	120.4090	0.000	1	120.6840	0.151	2	121.5353	2.250	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	121.3210	0.000	1	121.3210	0.000	1	122.3126	0.624	7	123.3151	8.576	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	122.1010	0.000	1	121.8643	0.117	3	122.3126	0.624	7	123.3151	8.576	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	121.7460	0.386	2	121.8643	0.117	3	122.3126	0.624	7	123.3151	8.576	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	122.9655	0.107	2	122.9655	0.011	2	122.3126	0.624	7	123.3151	8.576	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.3430	0.000	1	123.3430	0.000	1	122.3126	0.624	7	123.3151	8.576	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:P-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	130.3330	0.000	1	130.3330	0.000	1	130.3330	0.000	1	123.3151	8.576	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	122.5050	0.000	1	122.5050	0.000	1	125.1615	13.243	4	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.5510	0.000	1	121.5510	0.000	1	125.1615	13.243	4	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<2>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,3|C<4>}	128.2950	0.000	2	128.2950	0.000	2	125.1615	13.243	4	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.2590	0.000	1	120.2590	0.000	1	121.2185	1.841	2	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	122.1780	0.000	1	122.1780	0.000	1	121.2185	1.841	2	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:B[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|B<4>,2|C<4>,5|H<1>}	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H){4|C<4>,4|H<1>}	122.2110	0.000	1	122.2110	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	124.0220	0.000	1	124.0220	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	125.4165	1.037	2	125.4165	1.076	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	123.0770	0.000	1	123.0770	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H){1|Re<8>,4|H<1>,6|C<4>}	122.3550	0.000	1	122.3550	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<4>}	120.1530	0.000	1	120.1530	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	121.0350	0.000	1	121.0350	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.5013	0.877	3	120.5013	0.769	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	121.0080	0.573	2	121.0080	0.328	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.2012	0.624	5	120.2012	0.390	5	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.1810	0.161	2	120.1810	0.026	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.0053	0.513	3	120.2676	0.426	8	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.9047	0.443	3	120.2676	0.426	8	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	119.7055	0.093	2	120.2676	0.426	8	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,5|C<4>}	120.8830	0.000	1	120.6418	0.354	115	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	120.4920	0.000	1	120.6418	0.354	115	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	121.2575	0.419	2	120.6418	0.354	115	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.6299	0.598	111	120.6418	0.354	115	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){3|H<1>,5|C<4>}	120.4412	0.405	6	120.4412	0.164	6	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.9960	1.621	2	120.6723	1.628	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.0250	0.000	1	120.6723	1.628	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	120.6225	0.080	2	120.6225	0.006	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	119.8395	1.665	2	119.8395	2.773	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H){1|O<2>,4|C<4>,6|H<1>}	121.5883	0.143	4	121.5883	0.020	4	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	122.1160	0.000	1	121.5443	0.488	9	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	121.4632	0.800	5	121.5443	0.488	9	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	121.4890	0.700	3	121.5443	0.488	9	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	123.5700	1.232	3	123.5700	1.519	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	121.6200	0.000	1	121.3399	1.924	7	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	119.4850	0.000	1	121.3399	1.924	7	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	120.7010	0.564	3	121.3399	1.924	7	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	123.0855	0.269	2	121.3399	1.924	7	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	122.9110	0.000	1	122.0057	0.646	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	121.3760	0.000	1	122.0057	0.646	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	121.7300	0.000	1	122.0057	0.646	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	123.3140	0.000	1	122.5677	3.050	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	123.8170	0.000	1	122.5677	3.050	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	120.5720	0.000	1	122.5677	3.050	3	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	124.7270	0.000	1	124.7270	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	119.7325	0.911	2	119.7325	0.831	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	122.5740	0.000	1	121.3370	3.060	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	120.1000	0.000	1	121.3370	3.060	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	120.7430	3.543	4	120.7430	12.553	4	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.7420	0.000	1	122.9385	0.077	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	123.1350	0.000	1	122.9385	0.077	2	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.9580	0.000	1	121.9580	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	125.8900	0.000	1	125.8900	0.000	1	120.9482	1.486	198	121.0469	1.994	206	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	125.4630	0.000	1	125.7230	0.135	2	125.2057	0.871	3	125.2057	0.871	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	125.9830	0.000	1	125.7230	0.135	2	125.2057	0.871	3	125.2057	0.871	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){4|C<4>,4|H<1>}	124.1710	0.000	1	124.1710	0.000	1	125.2057	0.871	3	125.2057	0.871	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	125.3970	0.215	2	125.4460	0.046	4	125.1404	0.501	5	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	125.4950	0.284	2	125.4460	0.046	4	125.1404	0.501	5	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	123.9180	0.000	1	123.9180	0.000	1	125.1404	0.501	5	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|O<2>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	124.9560	0.000	1	124.9560	0.000	1	124.9560	0.000	1	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	122.0180	0.000	1	122.0180	0.000	1	122.0810	0.072	5	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	122.2840	0.355	2	122.2840	0.126	2	122.0810	0.072	5	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	121.9095	0.136	2	121.9095	0.019	2	122.0810	0.072	5	123.7330	2.734	11	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	121.6750	0.494	2	121.6750	0.244	2	119.6997	1.947	8	119.6997	1.947	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.4280	0.000	1	119.1673	0.051	3	119.6997	1.947	8	119.6997	1.947	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.0370	0.000	2	119.1673	0.051	3	119.6997	1.947	8	119.6997	1.947	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.0140	0.000	1	118.9153	1.390	3	119.6997	1.947	8	119.6997	1.947	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.0420	0.000	1	118.9153	1.390	3	119.6997	1.947	8	119.6997	1.947	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.6900	0.000	1	118.9153	1.390	3	119.6997	1.947	8	119.6997	1.947	8	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	119.1440	0.419	2	119.1440	0.175	2	119.9316	1.870	14	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	118.0590	0.000	1	118.0590	0.000	1	119.9316	1.870	14	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<2>,3|C<4>,4|H<1>}	120.6732	0.523	4	120.6732	0.274	4	119.9316	1.870	14	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	123.2460	0.000	1	123.2460	0.000	1	119.9316	1.870	14	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.0960	0.000	1	118.0960	0.000	1	119.9316	1.870	14	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	119.7322	0.672	5	119.7322	0.452	5	119.9316	1.870	14	119.9747	1.764	15	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	125.8150	0.000	2	125.8150	0.000	2	125.8150	0.000	2	125.8150	0.000	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|N<3>,2|H<1>,5|C<4>}	118.6535	1.715	2	118.6535	2.940	2	118.6535	2.940	2	118.6535	2.940	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:2:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,5|C<4>}	124.0960	0.000	1	124.0960	0.000	1	124.0960	0.000	1	122.1540	5.960	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	121.5067	2.535	3	121.5067	6.425	3	121.5067	6.425	3	122.1540	5.960	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	118.2200	0.000	1	118.2200	0.000	1	119.1783	0.690	3	119.1783	0.690	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){3|H<1>,5|C<4>}	119.6575	0.045	2	119.6575	0.002	2	119.1783	0.690	3	119.1783	0.690	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:3:	3:3:2:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,5|C<4>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]O)(H){6|C<4>}	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	121.8435	2.401	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H){1|C<3>,6|C<4>}	122.8860	0.000	1	122.8860	0.000	1	123.0430	0.049	2	121.8435	2.401	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[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[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	123.2000	0.000	1	123.2000	0.000	1	123.0430	0.049	2	121.8435	2.401	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,5|C<4>}	120.3750	0.000	1	120.3750	0.000	1	120.7870	2.567	3	121.8435	2.401	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H){2|C<3>,5|C<4>}	119.4310	0.000	1	119.4310	0.000	1	120.7870	2.567	3	121.8435	2.401	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,2|H<1>,5|C<4>}	122.5550	0.000	1	122.5550	0.000	1	120.7870	2.567	3	121.8435	2.401	6	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH){2|C<3>,5|C<4>}	121.0640	0.377	3	121.0640	0.142	3	121.0640	0.142	3	121.0640	0.142	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	121.5105	0.088	2	121.5105	0.008	2	121.5105	0.008	2	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.9460	0.000	1	122.2855	0.873	2	122.2855	0.873	2	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.6250	0.000	1	122.2855	0.873	2	122.2855	0.873	2	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<4>}	122.3250	0.000	1	122.3250	0.000	1	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.1603	0.355	12	122.1109	0.159	14	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.2990	0.000	1	122.1109	0.159	14	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.3300	0.000	1	122.1109	0.159	14	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	122.2100	0.000	1	122.2100	0.000	1	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	122.4670	0.000	1	121.7067	1.546	3	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	121.3265	1.491	2	121.7067	1.546	3	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	123.1840	0.000	1	123.2763	0.009	3	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	123.3225	0.069	2	123.2763	0.009	3	122.2290	0.452	22	122.1780	0.453	26	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){3|C<4>,5|H<1>}	123.9870	0.897	4	123.9870	0.805	4	123.9870	0.805	4	123.9870	0.805	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	122.6540	0.000	1	122.6540	0.000	1	122.6540	0.000	1	122.7802	3.372	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	125.5040	0.000	1	125.5040	0.000	1	125.5040	0.000	1	122.7802	3.372	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	123.4940	0.000	1	123.4940	0.000	1	121.9143	1.902	3	122.7802	3.372	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	120.9490	0.000	1	120.9490	0.000	1	121.9143	1.902	3	122.7802	3.372	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.3000	0.000	1	121.3000	0.000	1	121.9143	1.902	3	122.7802	3.372	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){3|H<1>,5|C<4>}	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	121.9212	4.125	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	125.5080	0.000	1	125.5080	0.000	1	123.3150	9.618	2	121.9212	4.125	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	121.1220	0.000	1	121.1220	0.000	1	123.3150	9.618	2	121.9212	4.125	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	120.7340	0.081	2	120.7340	0.006	2	120.7340	0.006	2	121.9212	4.125	5	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	126.9010	0.000	1	126.9010	0.000	1	125.6953	0.904	7	125.6953	0.904	7	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC){1|C<3>,3|C<4>,4|H<1>}	126.6290	0.000	1	126.6290	0.000	1	125.6953	0.904	7	125.6953	0.904	7	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	125.4433	0.723	4	125.2674	0.546	5	125.6953	0.904	7	125.6953	0.904	7	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	124.5640	0.000	1	125.2674	0.546	5	125.6953	0.904	7	125.6953	0.904	7	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	121.0380	0.000	1	121.0380	0.000	1	120.9350	0.021	2	120.9350	0.021	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	120.8320	0.000	1	120.8320	0.000	1	120.9350	0.021	2	120.9350	0.021	2	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO){3|C<3>,3|C<4>,4|H<1>}	126.3700	0.158	3	126.3700	0.025	3	126.3700	0.025	3	126.3700	0.025	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	118.5120	0.000	1	118.5120	0.000	1	119.7320	1.238	3	119.7320	1.238	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	120.3420	0.494	2	120.3420	0.244	2	119.7320	1.238	3	119.7320	1.238	3	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	124.7175	0.634	2	124.7175	0.402	2	124.7175	0.402	2	122.2380	8.423	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	122.2380	8.423	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[5,6]-4:C-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	122.2380	8.423	4	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	127.6020	0.000	1	127.6020	0.000	1	127.6020	0.000	1	127.6020	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|H<1>,4|C<4>}	125.0020	0.000	1	125.0020	0.000	1	125.0020	0.000	1	125.0020	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6,6]	C[6]	C[6]	4:4:3:	5:3:3:1:	3:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[3x3,4,3x5,14x6]-5:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6,6]C[6,6]C[6])2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6,6]C[6,6]C[6])2(H){1|Zr<14>,1|C<5>,1|N<3>,4|C<3>,5|B<6>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Zr<14>,1|C<5>,1|N<3>,2|C<3>,2|H<1>}	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	120.5586	5.602	1214	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:2:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-3:N[6]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(N[6]C[6])	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6])	C[6](C[6]C[3x6]N[6])(C[6]N[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(N[6]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]N[6])(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,3|C<4>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:3:	4:3:3:3:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.9165	0.156	2	123.9165	0.024	2	123.9165	0.024	2	119.8745	21.792	4	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:3:	4:3:3:3:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	115.8325	0.011	2	115.8325	0.000	2	115.8325	0.000	2	119.8745	21.792	4	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H){1|H<1>,6|C<4>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	120.7940	11.888	2	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6])	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H)	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H){1|O<1>,2|C<3>,3|C<4>}	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	120.7940	11.888	2	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:3:	4:4:4:3:	4:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H)	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H){1|C<3>,3|H<1>,6|C<4>}	124.3550	0.000	1	124.3550	0.000	1	124.3550	0.000	1	124.3550	0.000	1	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:4:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]DyO)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]DyO)(C[6]C[6]H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Dy<12>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.1220	0.150	3	121.1220	0.023	3	121.2409	0.178	11	121.2409	0.178	11	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:4:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]ErO)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]ErO)(C[6]C[6]H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Er<12>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.9057	0.404	3	120.9057	0.163	3	121.2409	0.178	11	121.2409	0.178	11	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:4:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]GdO)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]GdO)(C[6]C[6]H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Gd<12>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2377	0.132	3	121.2377	0.018	3	121.2409	0.178	11	121.2409	0.178	11	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:4:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]TiO)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]TiO)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Ti<7>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.9270	0.231	2	121.9270	0.053	2	121.2409	0.178	11	121.2409	0.178	11	121.2037	5.724	19	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	124.4870	0.238	2	124.4870	0.056	2	124.4870	0.056	2	121.2685	13.855	4	121.0537	15.594	6	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	118.0500	0.269	2	118.0500	0.072	2	118.0500	0.072	2	121.2685	13.855	4	121.0537	15.594	6	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>}	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	121.0537	15.594	6	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	124.8580	0.000	1	124.8580	0.000	1	124.8580	0.000	1	124.8580	0.000	1	121.0537	15.594	6	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	116.1550	52.901	2	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:2:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	116.1550	52.901	2	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|S<2>,4|H<1>,6|C<3>}	124.5400	0.000	1	124.5400	0.000	1	124.5400	0.000	1	124.5400	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO){1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,2|O<2>,3|H<1>,6|C<3>}	124.0620	0.000	1	124.0620	0.000	1	124.0620	0.000	1	124.0620	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	124.9120	2.084	3	124.9120	4.342	3	124.9588	2.305	5	124.9588	2.305	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|S<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	125.0290	0.721	2	125.0290	0.520	2	124.9588	2.305	5	124.9588	2.305	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	124.5280	0.253	2	124.5280	0.064	2	123.3257	0.979	6	123.3257	0.979	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	123.0745	0.005	2	123.0745	0.000	2	123.3257	0.979	6	123.3257	0.979	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	122.3745	0.052	2	122.3745	0.003	2	123.3257	0.979	6	123.3257	0.979	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-4:O[6]-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H){2|C<4>,2|H<1>,3|C<3>}	129.3120	0.000	1	129.9800	0.335	3	129.9800	0.335	3	129.9800	0.335	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-4:O[6]-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6]){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H){2|C<4>,2|H<1>,3|C<3>}	130.3140	0.000	2	129.9800	0.335	3	129.9800	0.335	3	129.9800	0.335	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	123.2140	0.000	1	120.7975	11.679	2	120.7975	11.679	2	120.7975	11.679	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	118.3810	0.000	1	120.7975	11.679	2	120.7975	11.679	2	120.7975	11.679	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,3|C<3>}	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:3:	C[6]-3:C[6]-4:N[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	124.1810	0.000	1	124.1810	0.000	1	124.1810	0.000	1	124.1810	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.4240	0.000	1	122.4240	0.000	1	122.4240	0.000	1	121.0170	3.959	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(I){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	121.0170	3.959	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C){1|C<4>,1|H<1>,3|C<3>}	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5110	0.000	1	123.3245	0.070	2	123.3245	0.070	2	123.3245	0.070	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.1380	0.000	1	123.3245	0.070	2	123.3245	0.070	2	123.3245	0.070	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.1000	0.000	1	120.1000	0.000	1	120.1000	0.000	1	120.0380	0.008	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]N[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Re)(C[6]N[6]2H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	119.9760	0.000	1	119.9760	0.000	1	119.9760	0.000	1	120.0380	0.008	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	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>}	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:1:	4:4:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:2:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(O[6]B[6])(OC)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O){1|B<4>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H){2|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[6]2)(O[6]B[6])(OC){1|H<1>,1|O<2>,2|F<1>,3|C<4>}	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	119.1670	0.286	2	119.1670	0.082	2	119.2043	1.515	9	119.9450	3.929	11	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.3448	1.325	4	119.3448	1.755	4	119.2043	1.515	9	119.9450	3.929	11	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.0420	1.818	3	119.0420	3.306	3	119.2043	1.515	9	119.9450	3.929	11	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.2780	0.113	2	123.2780	0.013	2	123.2780	0.013	2	119.9450	3.929	11	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.8177	2.103	3	122.8177	4.423	3	122.8177	4.423	3	122.8177	4.423	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.5900	0.000	1	121.5900	0.000	1	122.7090	0.568	4	122.7090	0.568	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.9420	0.000	1	122.9420	0.000	1	122.7090	0.568	4	122.7090	0.568	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.1520	0.075	2	123.1520	0.006	2	122.7090	0.568	4	122.7090	0.568	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	4:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6])	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O){1|B<4>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H){2|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6]){2|F<1>,2|O<2>,4|C<4>,5|H<1>}	122.8030	0.000	1	122.8030	0.000	1	122.8030	0.000	1	122.8030	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	124.0000	1.583	4	124.0000	2.505	4	124.0000	2.505	4	124.0000	2.505	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO){2|C<3>,3|C<4>,4|H<1>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]O[6])(O[6]C[6])(H)	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>}	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]O[6])(O[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-2:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:4:1:	4:3:3:	C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	128.5660	0.000	1	128.5660	0.000	1	128.5660	0.000	1	128.5660	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:4:3:1:	3:4:3:	C[6]-4:C[6]-3:O[6]-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6])	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O)	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6]){2|F<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O){1|B<4>,4|C<4>,5|H<1>}	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:2:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:O[6]-2:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(O[6]C[6])2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(O[6]C[6])2(H){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,2|H<1>,2|O<2>}	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:O[6]-2:C[6]-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	124.1460	0.000	1	124.1460	0.000	1	124.1460	0.000	1	124.1460	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:O[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|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]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|O<2>,3|C<3>}	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:4:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|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[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|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[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	123.0990	0.000	1	123.0990	0.000	1	121.1765	7.392	2	120.2493	6.957	9	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.2540	0.000	1	119.2540	0.000	1	121.1765	7.392	2	120.2493	6.957	9	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	114.5420	0.000	1	114.5420	0.000	1	116.6650	9.014	2	120.2493	6.957	9	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,3|H<1>}	118.7880	0.000	1	118.7880	0.000	1	116.6650	9.014	2	120.2493	6.957	9	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|O<1>,2|H<1>,3|C<3>}	121.3225	1.436	4	121.3225	2.062	4	121.3225	2.062	4	120.2493	6.957	9	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]2H)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2H)(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,2|H<1>,2|N<3>}	121.2710	0.000	1	121.2710	0.000	1	121.2710	0.000	1	120.2493	6.957	9	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,2|H<1>,3|C<3>}	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.7230	0.211	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){3|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	119.7230	0.211	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.5620	0.000	1	117.4987	3.242	3	117.4987	3.242	3	117.4987	3.242	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	116.4670	0.314	2	117.4987	3.242	3	117.4987	3.242	3	117.4987	3.242	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.0310	0.000	1	123.0713	3.148	3	123.0713	3.148	3	123.0713	3.148	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.0915	0.227	2	123.0713	3.148	3	123.0713	3.148	3	123.0713	3.148	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2O)(C[6]N[6]O)2	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2O)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	118.9480	4.098	2	118.9480	16.797	2	118.9480	16.797	2	121.0728	13.010	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2{1|C<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	120.8310	1.922	2	120.8310	3.694	2	120.8310	3.694	2	121.0728	13.010	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]2O)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2O)(N[6]C[6]Re)(C[6]C[6]H){1|Re<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)2(OC){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	125.8060	0.000	1	125.8060	0.000	1	125.8060	0.000	1	121.0728	13.010	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:N[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6]O)(N[6]C[6,6a]Zn)(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6]O)(N[6]C[6,6a]Zn)(C[6]C[6]N[6]){1|H<1>,1|N<2>,6|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	125.8065	0.268	2	125.8065	0.072	2	125.8065	0.072	2	121.8070	21.375	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	115.9845	0.124	2	115.9845	0.015	2	115.9845	0.015	2	121.8070	21.375	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6300	0.588	2	123.6300	0.346	2	123.6300	0.346	2	121.8070	21.375	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7910	0.000	1	123.7910	0.000	1	122.5058	4.086	6	122.5058	4.086	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.9010	0.190	2	122.9010	0.036	2	122.5058	4.086	6	122.5058	4.086	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H){1|Ir<6>,3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.8880	0.000	1	118.8880	0.000	1	122.5058	4.086	6	122.5058	4.086	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.7180	0.000	1	124.7180	0.000	1	122.5058	4.086	6	122.5058	4.086	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8360	0.000	1	121.8360	0.000	1	122.5058	4.086	6	122.5058	4.086	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]N[6])(C[6]O[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]O[6]O)2{3|C<4>,3|H<1>}	121.8880	0.000	1	121.8880	0.000	1	121.8880	0.000	1	121.8880	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|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]N[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,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](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	122.0925	0.404	2	122.0925	0.163	2	122.0925	0.163	2	122.0925	0.163	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]2H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	119.7490	5.289	2	119.7490	27.975	2	119.7490	27.975	2	119.7490	27.975	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.0535	1.893	2	121.3533	2.850	4	121.3533	2.850	4	121.3533	2.850	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.6530	2.147	2	121.3533	2.850	4	121.3533	2.850	4	121.3533	2.850	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:4:1:	3:3:3:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){1|Fe<10>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:4:2:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C[6]-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	125.0800	0.000	1	125.0800	0.000	1	125.0800	0.000	1	125.0800	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:4:3:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6]-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2O)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(ORu2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2O)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(ORu2){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:4:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	C[6](C[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H){1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[6]2)(O[6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:4:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H){1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){2|C<4>,2|H<1>,3|O<2>}	120.3470	0.000	1	120.3470	0.000	1	120.3470	0.000	1	120.3470	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3040	0.000	1	120.3040	0.000	1	121.2040	1.620	2	120.2672	4.351	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1040	0.000	1	122.1040	0.000	1	121.2040	1.620	2	120.2672	4.351	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	118.3640	0.000	1	118.3640	0.000	1	118.3640	0.000	1	120.2672	4.351	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	118.0010	0.000	1	118.0010	0.000	1	118.0010	0.000	1	120.2672	4.351	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	N[5,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	122.5630	0.000	1	122.5630	0.000	1	122.5630	0.000	1	120.2672	4.351	5	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.6833	0.231	3	125.6833	0.053	3	125.6833	0.053	3	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.4990	0.151	2	122.4990	0.023	2	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.9090	0.023	2	122.9090	0.001	2	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	123.3380	0.130	2	123.0042	0.389	8	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.7375	0.745	4	123.0042	0.389	8	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	123.2040	0.672	2	123.0042	0.389	8	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]FeC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]FeC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	123.1855	0.258	2	123.1855	0.067	2	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]MnC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]MnC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<7>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	121.7545	0.336	2	121.7545	0.113	2	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	119.9015	0.401	2	122.0227	3.049	6	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.5895	0.497	2	122.0227	3.049	6	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	123.5770	0.605	2	122.0227	3.049	6	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]ZnC)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]ZnC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.2030	0.933	2	122.2030	0.871	2	122.5530	1.084	24	122.9008	1.968	27	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	2:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]2)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2H)(C[6]C[6]O)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]O)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]C)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	116.5570	0.000	1	116.5570	0.000	1	116.5570	0.000	1	116.5570	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]2H)(C[6]C[6]O)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]O)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	126.0750	0.000	1	126.0750	0.000	1	126.0750	0.000	1	126.0750	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:2:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	121.0230	7.091	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:2:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){1|O<2>,3|C<4>,3|H<1>}	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	121.0230	7.091	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:3:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.4380	1.943	2	120.4380	3.776	2	120.4380	3.776	2	122.3040	12.334	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:3:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	126.0360	0.000	1	126.0360	0.000	1	126.0360	0.000	1	122.3040	12.334	3	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:4:3:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-4:C[6]-3:	C[6,6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	125.6240	1.348	2	125.6240	1.816	2	125.6240	1.816	2	125.6240	1.816	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:S[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,1|S<3>,3|H<1>}	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:4:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	120.8100	0.065	2	120.8100	0.004	2	120.8100	0.004	2	120.8100	0.004	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,3|C<4>}	126.9040	0.000	1	126.9040	0.000	1	126.9040	0.000	1	126.9040	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:2:	4:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO){1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.7480	0.000	1	125.7480	0.000	1	125.7480	0.000	1	125.7480	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H){1|O<2>,3|H<1>,4|C<4>}	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){2|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	127.4790	0.000	1	127.4790	0.000	1	127.4790	0.000	1	127.4790	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	123.4740	1.242	4	123.4740	1.543	4	123.7703	1.494	6	123.7703	1.494	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	124.3630	1.338	2	124.3630	1.790	2	123.7703	1.494	6	123.7703	1.494	6	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	124.2250	0.684	2	124.2250	0.469	2	124.2250	0.469	2	124.2250	0.469	2	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){4|C<4>,7|H<1>}	123.4760	0.000	1	123.4760	0.000	1	124.4811	0.406	13	124.4811	0.406	13	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[6]C[6]2){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	124.6870	0.912	2	124.6870	0.832	2	124.4811	0.406	13	124.4811	0.406	13	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	124.4870	0.000	1	124.5376	0.345	5	124.4811	0.406	13	124.4811	0.406	13	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	124.5503	0.677	4	124.5376	0.345	5	124.4811	0.406	13	124.4811	0.406	13	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	124.5432	0.619	5	124.5432	0.383	5	124.4811	0.406	13	124.4811	0.406	13	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H)	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){2|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H){2|N<3>,4|C<4>,5|H<1>}	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(H){2|H<1>,2|O<2>,4|C<4>}	123.6970	0.000	1	123.6970	0.000	1	123.6970	0.000	1	122.8160	0.473	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){4|C<4>,4|H<1>}	122.5223	0.438	3	122.5223	0.192	3	122.5223	0.192	3	122.8160	0.473	4	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	0:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){4|C<4>,7|H<1>}	122.4690	0.000	1	122.4690	0.000	1	122.4690	0.000	1	122.4690	0.000	1	122.1821	8.527	203	121.1745	7.400	1810
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:3:4:	3:4:4:1:	4:3:4:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-3:C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H){1|Cl<1>,1|C<3>,1|S<2>,5|C<4>,8|H<1>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:4:2:	3:3:3:1:	3:4:2:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:4:3:	3:3:3:1:	3:4:3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|O<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	114.4160	0.112	4	114.4160	0.013	4	114.4160	0.013	4	114.4160	0.013	4	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:4:3:	3:4:4:1:	3:4:3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|Ir<6>,1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	111.8177	0.412	3	112.8750	1.593	6	112.8750	1.593	6	112.8750	1.593	6	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:4:3:	3:4:4:1:	3:4:3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|Ir<6>,1|N<2>,2|C<4>,3|C<3>,5|H<1>}	113.9323	0.678	3	112.8750	1.593	6	112.8750	1.593	6	112.8750	1.593	6	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:4:3:	4:4:3:1:	3:4:3:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[6,6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	3:4:3:	4:4:3:1:	4:3:2:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[6,6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:S[6]-2:	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:2:	3:3:3:1:	3:3:2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	113.5960	0.482	2	113.5960	0.233	2	113.5960	0.233	2	112.5555	1.576	4	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:2:	3:3:3:1:	3:3:2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:Cl-1:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	111.5150	0.404	2	111.5150	0.164	2	111.5150	0.164	2	112.5555	1.576	4	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:2:	3:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:2:	3:4:4:1:	3:4:3:	C[3x6]-4:C[3x6]-3:S[6]-2:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:2:	4:3:3:1:	4:3:4:	C[3x6]-4:C[3x6]-3:O[6]-2:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	112.2982	0.358	4	112.2982	0.128	4	112.2982	0.128	4	113.6094	1.093	17	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	114.3770	0.298	10	114.3770	0.089	10	114.0128	0.676	13	113.6094	1.093	17	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	112.4245	0.852	2	112.4245	0.726	2	114.0128	0.676	13	113.6094	1.093	17	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	113.5470	0.000	1	113.5470	0.000	1	114.0128	0.676	13	113.6094	1.093	17	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	112.8990	0.893	4	112.8990	0.798	4	112.8990	0.798	4	112.8990	0.798	4	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	3:4:2:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|O<2>,6|H<1>}	114.2270	0.000	1	114.2270	0.000	1	114.2270	0.000	1	114.2270	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	4:3:2:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	4:3:3:3:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	4:3:4:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	114.2000	0.229	2	114.2000	0.052	2	114.2000	0.052	2	114.2000	0.052	2	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:3:	4:4:3:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	113.1630	0.162	7	113.1630	0.026	7	113.1630	0.026	7	113.1630	0.026	7	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:4:	3:4:2:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH){3|O<2>,4|C<4>,8|H<1>}	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[3x6]-3:C[3x6]-4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H){1|Cl<1>,1|C<3>,1|S<2>,5|C<4>,8|H<1>}	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:4:	4:3:4:1:	4:3:2:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:O[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[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>}	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[3x6]	4:3:4:	4:4:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	113.7306	2.916	60	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[4x6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	113.1660	0.000	1	113.3370	0.058	2	113.3370	0.058	2	113.3370	0.058	2	113.3370	0.058	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[4x6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	113.5080	0.000	1	113.3370	0.058	2	113.3370	0.058	2	113.3370	0.058	2	113.3370	0.058	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[5x6]	3:4:4:	3:3:3:1:	4:4:3:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[3x6]-3:C[6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O){5|C<4>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	119.2733	1.583	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6,6]	4:3:3:	4:3:4:4:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	119.2733	1.583	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:4:	4:3:2:	C[3x6]-4:C[5,6,6]-4:C[6,6]-3:	C[3,5,6,6]-4:C[3,3x6]-4:C[3x6]-3:N-4:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6])	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH)	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])	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6]){3|C<4>,3|O<2>,5|C<3>}	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH){3|C<4>,3|O<2>,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>}	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	119.2733	1.583	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	120.8490	5.483	5	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[3x6]-3:C[6,6]-3:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H)	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](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H){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](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	118.0470	0.000	1	118.0470	0.000	1	118.0470	0.000	1	118.0470	0.000	1	120.8490	5.483	5	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-3:C[6]-4:Br-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	119.9080	0.000	1	119.8230	0.014	2	119.8230	0.014	2	120.8740	3.321	3	120.8490	5.483	5	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-3:C[6]-4:Br-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	119.7380	0.000	1	119.8230	0.014	2	119.8230	0.014	2	120.8740	3.321	3	120.8490	5.483	5	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	122.9760	0.000	1	122.9760	0.000	1	122.9760	0.000	1	120.8740	3.321	3	120.8490	5.483	5	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[3x6]	4:3:4:	4:3:4:4:	4:3:4:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH){3|O<2>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	113.8750	0.000	1	113.8750	0.000	1	113.8750	0.000	1	113.8750	0.000	1	112.9987	0.672	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[3x6]	4:3:4:	4:4:3:1:	4:3:3:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.9987	0.672	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[3x6]	4:3:4:	4:4:3:4:	4:3:3:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|O<2>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.9987	0.672	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:3:	3:3:3:4:	3:4:4:	C[4x6]-4:N[5,6]-3:C[6,6]-3:	C[3x6]-3:P[3x6]-3:C[6,6]-3:C-4:	C[3x6]-3:C[3x6]-4:C-4:	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C)	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH)	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C){2|C<3>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	117.5915	0.408	2	117.5915	0.166	2	117.5915	0.166	2	117.5915	0.166	2	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:3:	4:3:2:3:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[3x6]-3:O[6,6]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O)	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	112.4825	0.165	2	112.4825	0.027	2	112.4825	0.027	2	112.4825	0.027	2	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	Si[4,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H){1|Si<5>,2|Si<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:3:	4:3:3:2:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:O[6]-2:	C[5,3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O)	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6])	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O){1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>,3|O<2>}	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:4:	3:3:4:4:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-3:C[6,6]-4:C[6]-4:	C[3x6]-4:C[3x6]-3:Br-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH){1|Br<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:4:	3:4:2:4:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH){1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H){2|C<4>,3|H<1>,3|O<2>}	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]2N)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]2N)(C[3x6]C[4x6]C[6])(H){2|C<3>,4|C<4>,4|H<1>}	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|Si<4>,2|C<3>,2|O<2>,4|C<4>}	113.1590	0.000	1	113.3280	0.057	2	113.3280	0.057	2	113.6005	0.124	4	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<3>,5|C<4>}	113.4970	0.000	1	113.3280	0.057	2	113.3280	0.057	2	113.6005	0.124	4	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	113.8730	0.139	2	113.8730	0.019	2	113.8730	0.019	2	113.6005	0.124	4	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H){1|O<1>,3|C<3>,4|C<4>}	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:3:3:4:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	113.7447	0.344	3	113.7447	0.119	3	113.7447	0.119	3	113.7447	0.119	3	114.1529	3.013	17	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:3:3:	4:3:2:3:	3:3:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[3x6]-3:O[6,6]-2:C[6]-3:	C[6,6a]-3:C[3x6]-3:O-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O)	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.0395	0.216	2	124.0395	0.047	2	124.0395	0.047	2	124.0395	0.047	2	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:3:3:	4:3:3:1:	3:3:2:	C[4x6]-4:C[6,6]-3:C[6]-3:	Si[4,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-3:N[6]-3:N-2:	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H)	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.4570	0.000	1	117.4570	0.000	1	117.4570	0.000	1	117.4570	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:3:3:	4:3:3:2:	3:2:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:O[6]-2:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O)	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6])	C[6](C[3x6]C[4x6]C[6,6])(O[6]C[6])(O)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O){1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	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>}	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6,6]-3:C[6]-4:	C[3x6]-3:C[6]-3:I-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|I<1>,2|O<1>,4|C<4>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[4x6]-4:C[4x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H)	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH)	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH){4|C<4>,7|H<1>}	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:3:4:	3:3:4:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6]-3:C-4:	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	120.9465	0.552	2	120.9465	0.305	2	120.9465	0.305	2	120.9465	0.305	2	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:3:	3:3:2:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6]-3:O-2:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH){2|C<3>,6|C<4>}	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[4x6]-4:C[3x6]-4:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	120.2605	5.955	2	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	121.9860	0.000	1	121.9860	0.000	1	121.9860	0.000	1	120.2605	5.955	2	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:4:	4:3:1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-4:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2{10|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){1|C<3>,3|H<1>,5|C<4>}	124.4120	0.024	2	124.4327	0.002	3	124.4327	0.002	3	124.4327	0.002	3	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:3:4:4:	4:3:1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-4:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2{10|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){3|H<1>,6|C<4>}	124.4740	0.000	1	124.4327	0.002	3	124.4327	0.002	3	124.4327	0.002	3	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[4x6]	C[6]	4:4:3:	4:4:3:3:	3:3:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H)	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,4|C<4>}	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.0838	4.412	16	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[5x6]	C[6,6]	4:3:4:	4:3:3:4:	3:4:1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H)	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	114.5010	1.933	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[5x6]	C[6,6]	4:3:4:	4:4:3:3:	4:3:1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H){2|C<3>,2|H<1>,6|C<4>}	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	114.5010	1.933	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[5x6]	C[6]	4:4:3:	4:4:3:3:	3:3:1:	C[5x6]-4:Si[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:2:	4:3:1:1:	4:3:4:	C[3x6]-3:C[6,6]-4:O[6]-2:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6])	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH)	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>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2{2|H<1>,5|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH){4|C<4>,6|H<1>}	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|C<3>,3|C<4>,6|H<1>}	117.9246	0.297	7	117.8882	0.939	32	117.8882	0.939	32	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Os<6>,1|C<3>,3|C<4>,5|H<1>}	118.7382	1.056	6	117.8882	0.939	32	117.8882	0.939	32	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Pt<4>,1|C<3>,3|C<4>,5|H<1>}	117.7005	1.167	11	117.8882	0.939	32	117.8882	0.939	32	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Ru<6>,1|C<3>,3|C<4>,5|H<1>}	117.2330	0.778	4	117.8882	0.939	32	117.8882	0.939	32	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Fe<6>,1|C<3>,3|C<4>,5|H<1>}	117.7210	0.576	4	117.8882	0.939	32	117.8882	0.939	32	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	118.3323	0.440	4	118.2289	0.129	9	117.8879	0.538	13	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	118.0470	0.273	3	118.2289	0.129	9	117.8879	0.538	13	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<6>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,3|C<4>,5|H<1>}	118.2950	0.390	2	118.2289	0.129	9	117.8879	0.538	13	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,3|C<4>,5|H<1>}	117.1208	0.822	4	117.1208	0.676	4	117.8879	0.538	13	117.8881	0.808	45	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[3x6]	3:4:3:	4:3:4:1:	4:3:3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,4|C<4>,4|H<1>}	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.9477	1.055	47	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[4x6]	3:4:4:	3:4:4:1:	4:4:3:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	116.3330	0.000	1	116.3330	0.000	1	122.4300	74.347	2	122.4300	74.347	2	122.4300	74.347	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[4x6]	3:4:4:	3:4:4:1:	4:4:3:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	128.5270	0.000	1	128.5270	0.000	1	122.4300	74.347	2	122.4300	74.347	2	122.4300	74.347	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-3:O[6]-2:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|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>}	119.3730	0.000	1	119.3730	0.000	1	119.3730	0.000	1	119.3730	0.000	1	114.0794	53.460	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[3x6]-3:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	114.0794	53.460	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:3:	C[3,6,6]-4:C[6,6]-3:C[6,6]-4:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O)	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	114.0794	53.460	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6]2)2(H)2	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2)2(H)2{2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H){1|C<3>,1|C<4>,7|H<1>}	106.4110	2.657	2	106.4110	7.061	2	106.4110	7.061	2	106.4110	7.061	2	114.0794	53.460	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:3:4:	C[4,4,6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[3x6]-3:C[6]-3:C[6]-4:	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2){1|C<2>,1|C<3>,2|H<2>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	114.0794	53.460	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H){1|C<3>,1|C<4>,7|H<1>}	108.4115	2.214	2	108.4115	4.902	2	108.4115	4.902	2	108.4115	4.902	2	114.0794	53.460	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:3:1:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	124.4806	0.523	7	124.4806	0.273	7	124.4806	0.273	7	124.4806	0.273	7	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	3:4:2:	C[4,6,6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	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>}	121.7340	0.000	1	121.7340	0.000	1	121.7340	0.000	1	121.7340	0.000	1	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	4:3:2:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:O[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	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>}	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	121.5403	2.603	3	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	4:3:3:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	121.2370	0.000	1	121.2370	0.000	1	120.6685	0.646	2	121.5403	2.603	3	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	4:3:3:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|O<2>,6|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	120.1000	0.000	1	120.1000	0.000	1	120.6685	0.646	2	121.5403	2.603	3	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	4:3:4:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH){3|O<2>,4|C<4>,8|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	123.1360	0.000	1	123.1360	0.000	1	123.1360	0.000	1	123.1360	0.000	1	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:4:2:1:	4:3:4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:O-2:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH){3|O<2>,4|C<4>,8|H<1>}	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	123.3172	2.476	14	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[3x6]	C[3x6]	4:4:3:	4:3:4:1:	3:4:4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[4x6]	C[3x6]	4:3:3:	3:3:3:3:	4:3:3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	115.7020	0.000	1	115.7340	0.002	2	115.7340	0.002	2	115.7340	0.002	2	120.1140	57.554	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[4x6]	C[3x6]	4:3:3:	3:3:3:3:	4:3:3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	115.7660	0.000	1	115.7340	0.002	2	115.7340	0.002	2	115.7340	0.002	2	120.1140	57.554	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[4x6]	C[3x6]	4:4:3:	4:3:3:4:	3:4:4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	128.8740	0.000	1	128.8740	0.000	1	128.8740	0.000	1	128.8740	0.000	1	120.1140	57.554	3	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[4x6]	C[6,6]	4:3:3:	3:3:3:3:	3:2:3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-3:N[6]-2:C[6]-3:	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	120.6070	0.000	1	121.1880	0.675	2	121.1880	0.675	2	121.1880	0.675	2	121.1880	0.675	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[4x6]	C[6,6]	4:3:3:	3:3:3:3:	3:2:3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-3:N[6]-2:C[6]-3:	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,5|C<3>}	121.7690	0.000	1	121.1880	0.675	2	121.1880	0.675	2	121.1880	0.675	2	121.1880	0.675	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[5x6]	C[4x6]	4:3:4:	3:4:2:2:	4:3:4:	C[5x6]-4:C[4x6]-3:C[3x6]-4:	C[4x6]-3:C[3x6]-4:S[6,6]-2:S[6,6]-2:	C[5x6]-4:C[4x6]-3:C[3x6]-4:	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H)	C[5x6](C[4x6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(S[6,6]S[6,6])2	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H)	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H){2|S<2>,5|C<4>,6|H<1>}	C[5x6](C[4x6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(S[6,6]S[6,6])2{4|C<4>,5|H<1>}	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H){2|S<2>,5|C<4>,6|H<1>}	121.5290	0.040	2	121.5290	0.002	2	121.5290	0.002	2	121.5290	0.002	2	121.5290	0.002	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[4x6]	C[6x6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-3:	C[4x6]-3:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-3:C[3x6]-4:H-1:	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H)	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H)	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H){1|O<2>,5|H<1>,7|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[5x6]	C[4x6]	C[3x6]	4:4:3:	3:3:3:3:	3:4:4:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	129.6120	0.000	1	129.6120	0.000	1	129.6120	0.000	1	129.6120	0.000	1	129.6120	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[5x6]	C[5x6]	C[3x6]	4:4:3:	4:3:3:3:	3:4:4:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	116.2470	0.000	1	116.2470	0.000	1	116.2470	0.000	1	116.2470	0.000	1	116.2470	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	3:3:3:1:	4:3:4:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	3:3:3:1:	4:4:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<3>,5|C<4>}	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	116.6440	0.000	1	116.6440	0.000	1	116.4747	0.074	3	116.4747	0.074	3	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	3:3:3:1:	4:4:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	116.3900	0.325	2	116.3900	0.106	2	116.4747	0.074	3	116.4747	0.074	3	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	4:3:3:1:	4:3:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.5710	0.000	1	114.5710	0.000	1	114.2870	0.157	3	114.2870	0.157	3	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	4:3:3:1:	4:3:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	114.4550	0.000	1	114.4550	0.000	1	114.2870	0.157	3	114.2870	0.157	3	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	4:3:3:1:	4:3:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	113.8350	0.000	1	113.8350	0.000	1	114.2870	0.157	3	114.2870	0.157	3	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	4:3:3:1:	4:4:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|Si<4>,2|C<3>,2|O<2>,4|C<4>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	4:3:3:2:	4:3:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:1:	4:4:3:1:	4:4:3:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	116.6153	0.528	3	116.6153	0.279	3	116.6153	0.279	3	116.6153	0.279	3	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:4:	4:3:3:1:	4:3:3:	C[3x6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C)	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C){2|C<3>,2|H<1>,5|C<4>}	113.9695	0.227	2	113.9695	0.052	2	113.9695	0.052	2	113.9695	0.052	2	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	3:3:3:1:	4:4:3:	C[3x6]-4:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H){1|O<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	4:3:2:1:	4:3:4:	C[3x6]-4:C[3x6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H){2|C<4>,3|H<1>,3|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H){2|C<4>,2|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[3x6]-3:H-1:	Si[4,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H){1|Si<5>,2|Si<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	4:3:3:3:	4:4:3:	C[3x6]-4:C[3x6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H){1|C<3>,1|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	107.7935	0.448	2	107.7935	0.200	2	107.7935	0.200	2	107.7935	0.200	2	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[3x6]-3:Br-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	118.9270	0.090	2	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H){2|C<3>,2|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	118.9270	0.090	2	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:1:	4:4:3:3:	4:3:4:	C[3x6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[3x6]C[5,6,6]2N)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]2N)(C[3x6]C[4x6]C[6])(H){2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	115.1849	8.409	22	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[4x6]	3:4:1:	4:4:3:1:	4:4:3:	C[4x6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-3:	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H)	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H){1|O<2>,5|H<1>,7|C<4>}	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	3:3:3:1:	4:3:3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	116.0200	0.124	2	116.0200	0.015	2	116.0200	0.015	2	116.0200	0.015	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	3:4:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	114.5610	0.301	2	114.5610	0.091	2	114.5610	0.091	2	114.5610	0.091	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.1660	0.000	1	114.1660	0.000	1	114.9227	0.663	6	114.7670	0.722	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	115.0280	0.000	1	115.0280	0.000	1	114.9227	0.663	6	114.7670	0.722	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	115.5320	1.341	2	115.5320	1.797	2	114.9227	0.663	6	114.7670	0.722	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,3|C<3>}	114.6390	0.173	2	114.6390	0.030	2	114.9227	0.663	6	114.7670	0.722	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	114.7670	0.722	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H){1|H<1>,1|I<1>,2|O<2>,4|C<3>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	112.7930	16.948	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	112.7930	16.948	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:4:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.1870	0.000	1	116.1870	0.000	1	116.1870	0.000	1	116.1870	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:4:	4:3:3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3){2|C<3>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	115.5530	0.000	1	115.5530	0.000	1	115.5530	0.000	1	115.5530	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:3:3:4:	4:3:4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3){2|C<3>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:I-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	116.2610	0.232	2	116.2610	0.054	2	116.2610	0.054	2	116.2610	0.054	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	114.3280	0.000	1	114.3280	0.000	1	113.8260	0.504	2	114.8967	3.691	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.3240	0.000	1	113.3240	0.000	1	113.8260	0.504	2	114.8967	3.691	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	114.8967	3.691	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6](C[6,6]C[3x6]N[5])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	C[6,6](C[6,6]C[3x6]N[5])(C[3x6]C[6,6]2H)(H){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)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	113.6410	0.320	3	113.6410	0.103	3	113.6410	0.103	3	113.6410	0.103	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:2:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){2|C<4>,2|N<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	114.9730	0.000	1	114.9730	0.000	1	114.9920	0.050	6	114.9920	0.050	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:2:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|C<3>,3|C<4>}	115.0590	0.000	1	115.0590	0.000	1	114.9920	0.050	6	114.9920	0.050	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:2:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	114.8843	0.261	3	114.8843	0.068	3	114.9920	0.050	6	114.9920	0.050	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:2:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	115.2670	0.000	1	115.2670	0.000	1	114.9920	0.050	6	114.9920	0.050	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:2:	4:3:3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5,4x6]C)(C[3x6]C[6,6]2O)(H)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO)	C[6,6](C[6,6]C[5,4x6]C)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:4:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	115.2335	0.165	2	115.3897	0.087	3	115.3897	0.087	3	115.3897	0.087	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:1:	4:4:3:4:	4:3:1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|H<1>,5|C<4>}	115.7020	0.000	1	115.3897	0.087	3	115.3897	0.087	3	115.3897	0.087	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:2:	4:4:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	113.7675	0.218	2	113.7675	0.048	2	113.7675	0.048	2	113.7675	0.048	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:P[3x6]-4:C[6a]-3:	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[6,6]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]2)	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,2|H<1>,7|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]2){1|P<4>,3|H<1>,7|C<3>}	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:P-4:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd){1|C<4>,1|H<1>,5|C<3>}	114.0960	0.168	2	114.0960	0.028	2	114.1535	0.015	4	114.1535	0.015	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:P-4:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt){1|C<4>,1|H<1>,5|C<3>}	114.2110	0.052	2	114.2110	0.003	2	114.1535	0.015	4	114.1535	0.015	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){4|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){4|C<3>,4|C<4>,5|H<1>}	114.0230	0.000	1	114.0230	0.000	1	114.0230	0.000	1	114.0230	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	4:3:3:1:	4:3:2:	C[6,6]-3:C[3x6]-4:N-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-2:	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN){1|C<3>,3|C<4>,5|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	4:4:3:1:	3:4:1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:I-1:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I){1|C<3>,3|C<4>,5|H<1>}	111.6400	0.157	2	111.6400	0.025	2	111.6400	0.025	2	111.6400	0.025	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:3:	4:4:3:1:	3:4:2:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:O-2:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH){1|C<3>,3|C<4>,5|H<1>}	109.3545	0.325	2	109.3545	0.105	2	109.3545	0.105	2	109.3545	0.105	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	3:3:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd){1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	112.6525	0.278	2	112.6525	0.077	2	112.5960	0.121	4	112.5960	0.121	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	3:3:3:1:	3:4:3:	C[6,6]-3:C[3x6]-4:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt){1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	112.5395	0.521	2	112.5395	0.272	2	112.5960	0.121	4	112.5960	0.121	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	3:4:4:1:	3:4:4:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	124.7450	0.000	1	124.7450	0.000	1	124.7450	0.000	1	124.7450	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	4:3:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.8250	0.000	1	112.8250	0.000	1	112.8250	0.000	1	112.8250	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	4:4:3:1:	3:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	N[5,3x6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H){3|H<1>,4|C<4>}	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	4:4:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	113.1255	0.050	2	113.1255	0.003	2	113.1255	0.003	2	113.0605	0.033	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	3:4:4:	4:4:3:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	112.9955	0.281	2	112.9955	0.079	2	112.9955	0.079	2	113.0605	0.033	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	112.8170	0.217	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.2980	0.000	1	113.2980	0.000	1	113.0415	0.132	2	112.8170	0.217	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,3|O<2>}	112.7850	0.000	1	112.7850	0.000	1	113.0415	0.132	2	112.8170	0.217	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|O<2>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	Ge[3x6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](Ge[3x6]N[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H){1|C<3>,1|C<4>,2|N<3>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](Ge[3x6]N[6,6]2)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	113.8530	0.030	2	113.8530	0.001	2	113.8530	0.001	2	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	113.5095	0.172	4	113.5095	0.030	4	113.5095	0.030	4	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H){5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H){1|H<1>,6|C<3>}	114.5290	0.040	2	114.5290	0.002	2	114.5290	0.002	2	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	114.3025	0.211	2	114.2762	0.041	6	114.2762	0.041	6	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	114.3485	0.209	2	114.2762	0.041	6	114.2762	0.041	6	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	114.1775	0.293	2	114.2762	0.041	6	114.2762	0.041	6	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>}	113.8155	0.224	2	113.8155	0.050	2	113.8268	0.224	8	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	114.0280	0.000	1	113.8305	0.303	6	113.8268	0.224	8	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	113.9160	0.636	3	113.8305	0.303	6	113.8268	0.224	8	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	113.6035	0.736	2	113.8305	0.303	6	113.8268	0.224	8	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|Se<3>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,5|C<3>}	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){2|H<1>,5|C<3>}	114.9680	0.178	2	114.9680	0.032	2	114.9680	0.032	2	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|P<4>,2|C<3>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|W<6>,3|C<3>}	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:I-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I){2|C<3>,2|H<1>,2|O<2>}	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[5x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,5|H<1>}	113.6285	0.568	2	113.6285	0.322	2	113.6285	0.322	2	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	110.6180	0.157	2	110.7387	0.100	6	110.7387	0.100	6	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	110.7990	0.379	4	110.7387	0.100	6	110.7387	0.100	6	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<3>,2|C<4>,4|H<1>}	109.8750	0.000	1	109.8750	0.000	1	109.9597	0.020	3	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	110.0020	0.170	2	110.0020	0.029	2	109.9597	0.020	3	113.1580	2.830	40	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO){1|H<1>,4|C<3>}	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:3:	3:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	P[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.2715	0.506	2	120.2715	0.256	2	120.2715	0.256	2	120.2715	0.256	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Fe)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Fe<8>,1|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Fe)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	121.3475	0.414	2	121.3475	0.171	2	121.0078	0.356	8	121.0078	0.356	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Se)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Se<1>,1|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Se)(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.0310	0.583	4	121.0310	0.340	4	121.0078	0.356	8	121.0078	0.356	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](P[3x6]C[6,6,6a]C[6,6]W)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,1|W<6>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]W)(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.6215	0.876	2	120.6215	0.768	2	121.0078	0.356	8	121.0078	0.356	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	B[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,5|C<3>}	116.8780	0.014	2	116.8780	0.000	2	116.8780	0.000	2	116.8780	0.000	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	As[4x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|P<4>,2|C<4>,3|H<1>}	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|W<6>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]H)(H){1|As<3>,1|W<6>,2|C<4>,3|H<1>}	118.5580	0.126	2	118.5580	0.016	2	118.5580	0.016	2	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,2|C<4>,4|H<1>}	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<3>,2|C<4>,4|H<1>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	113.3344	0.947	8	113.3344	0.897	8	113.3344	0.897	8	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	112.8886	2.128	16	112.8886	4.527	16	112.8886	4.527	16	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	114.5225	0.366	2	114.5225	0.134	2	114.5225	0.134	2	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	115.1650	0.068	2	115.1650	0.005	2	115.1650	0.005	2	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.4190	0.000	1	114.4190	0.000	1	114.5172	0.083	10	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.5600	0.680	2	114.5124	0.121	7	114.5172	0.083	10	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.8980	0.000	1	114.5124	0.121	7	114.5172	0.083	10	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.3923	0.129	4	114.5124	0.121	7	114.5172	0.083	10	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.5830	0.061	2	114.5830	0.004	2	114.5172	0.083	10	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	114.7630	0.000	1	114.7630	0.000	1	113.9403	0.736	8	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){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)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	113.4915	0.404	4	113.4915	0.163	4	113.9403	0.736	8	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	112.9410	0.000	1	112.9410	0.000	1	113.9403	0.736	8	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	114.5800	0.000	1	114.5800	0.000	1	113.9403	0.736	8	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	115.2720	0.000	1	115.2720	0.000	1	113.9403	0.736	8	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,4|C<3>}	115.1130	0.100	2	115.1130	0.010	2	115.1130	0.010	2	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(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)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	113.9670	0.424	2	113.9670	0.180	2	113.9870	0.091	3	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.0270	0.000	1	114.0270	0.000	1	113.9870	0.091	3	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	113.8545	0.457	2	113.8545	0.209	2	113.8586	0.084	7	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	114.2360	0.000	1	114.2360	0.000	1	113.8586	0.084	7	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.7662	0.197	4	113.7662	0.039	4	113.8586	0.084	7	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]Br)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]Br)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]Br)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]Br)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	114.4170	0.000	1	114.4170	0.000	1	114.4170	0.000	1	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<5>,1|O<2>,3|H<1>}	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.8623	2.485	65	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]H)(H){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)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H){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)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	114.1183	0.220	3	114.1183	0.048	3	114.1183	0.048	3	114.1183	0.048	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	114.4985	0.588	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<4>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,2|H<1>}	114.8710	0.222	3	114.8710	0.049	3	114.8710	0.049	3	114.4985	0.588	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:2:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6a])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6a])(C[6,6]C[3x6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:2:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br)	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)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br){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)(C[6,6]C[3x6]Br)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	115.4980	0.000	1	115.4980	0.000	1	115.4980	0.000	1	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	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)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.2440	0.000	1	113.2440	0.000	1	113.2440	0.000	1	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	113.1980	0.488	2	113.1980	0.238	2	113.1980	0.238	2	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	112.1730	1.366	2	112.1730	1.866	2	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	112.3990	0.672	2	112.3990	0.451	2	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,2|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)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	114.1860	0.000	1	113.9605	0.102	2	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){2|C<4>,2|O<2>,3|H<1>}	113.7350	0.000	1	113.9605	0.102	2	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|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)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.2115	0.407	11	113.2115	0.166	11	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.9506	0.287	5	112.9088	0.076	6	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<5>,1|O<2>,3|H<1>}	112.7000	0.000	1	112.9088	0.076	6	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){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]O[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.5625	0.064	2	112.5625	0.004	2	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,3|H<1>}	112.9870	0.071	2	112.9870	0.005	2	112.9979	0.359	27	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	114.1555	0.049	6	114.1555	0.002	6	114.1555	0.002	6	113.2706	0.590	37	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H){1|C<4>,1|N<3>,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]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	114.2700	0.300	4	114.2700	0.090	4	114.2700	0.090	4	114.2700	0.090	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi){2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	114.0055	0.764	2	114.0055	0.584	2	114.0055	0.584	2	114.0055	0.584	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:3:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H)	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])(C[6a]C[6a]2)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,3|C<3>}	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])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|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)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.7750	0.000	1	111.7750	0.000	1	113.7168	1.680	4	113.7168	1.680	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	114.3640	0.078	3	114.3640	0.006	3	113.7168	1.680	4	113.7168	1.680	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	114.0830	0.020	2	114.0830	0.000	2	114.0830	0.000	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	114.5733	0.611	3	114.8465	0.242	6	114.8954	0.160	9	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.1197	0.089	3	114.8465	0.242	6	114.8954	0.160	9	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.9933	0.118	3	114.9933	0.014	3	114.8954	0.160	9	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,5,6,6]N[5a,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,5,6,6]N[5a,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.7540	0.000	1	113.7540	0.000	1	113.7540	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,5,6,6]N[5a,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3,5,6,6]N[5a,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	115.1420	0.000	1	115.1845	0.004	2	115.1845	0.004	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.2270	0.000	1	115.1845	0.004	2	115.1845	0.004	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	115.8480	0.283	2	115.8480	0.080	2	115.8480	0.080	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	114.8923	0.072	3	114.8923	0.005	3	114.8923	0.005	3	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.6915	0.088	2	114.6915	0.008	2	114.6915	0.008	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.1480	0.231	4	115.1480	0.053	4	115.0250	0.292	8	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,4|H<1>}	114.9750	0.000	1	115.4660	0.482	2	115.0250	0.292	8	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.9570	0.000	1	115.4660	0.482	2	115.0250	0.292	8	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.3380	0.099	2	114.3380	0.010	2	115.0250	0.292	8	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.6500	0.000	1	114.6500	0.000	1	114.6500	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.1930	0.000	1	114.1930	0.000	1	114.1930	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2Br)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2Br)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	113.5080	0.000	1	113.5080	0.000	1	113.5080	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<2>,3|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	116.0515	0.312	2	116.0515	0.097	2	116.0515	0.097	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,4|H<1>}	114.5165	0.313	2	114.5165	0.098	2	114.5165	0.098	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	114.9960	0.240	2	114.9960	0.058	2	114.9960	0.058	2	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,4|H<1>}	113.0450	0.000	1	113.0450	0.000	1	112.8449	0.622	10	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,4|H<1>}	113.5550	0.000	1	113.5550	0.000	1	112.8449	0.622	10	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	113.2740	0.000	1	113.2740	0.000	1	112.8449	0.622	10	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.0480	0.000	1	114.0480	0.000	1	112.8449	0.622	10	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){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)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	112.1566	0.248	5	112.1566	0.062	5	112.8449	0.622	10	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.7440	0.000	1	113.7440	0.000	1	112.8449	0.622	10	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	P[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|W<6>,3|C<3>}	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|P<4>,2|C<3>}	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	Si[4,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|Si<5>,2|Si<4>,1|C<3>,2|H<1>}	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|Si<5>,2|Si<4>,1|H<1>,2|C<3>}	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:I-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I){2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O){2|C<3>,4|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	111.0000	0.079	3	111.0000	0.006	3	110.5805	0.259	6	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	110.1610	0.337	3	110.1610	0.113	3	110.5805	0.259	6	114.0211	3.459	63	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	115.0420	0.000	1	115.0420	0.000	1	113.6808	0.669	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	112.8850	0.000	1	112.8850	0.000	1	113.6808	0.669	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	113.4875	0.289	2	113.4875	0.084	2	113.6808	0.669	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	113.5020	0.000	1	113.5020	0.000	1	113.6808	0.669	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC)	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	113.0605	0.309	2	113.0605	0.095	2	114.1016	1.318	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	114.3075	0.366	2	114.3075	0.134	2	114.1016	1.318	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.7720	0.000	1	115.7720	0.000	1	114.1016	1.318	5	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH){2|C<3>,3|C<4>,3|H<1>}	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5])(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5])(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	113.8677	0.815	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.8087	0.216	16	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.8230	0.709	2	113.8230	0.502	2	113.8230	0.502	2	113.8087	0.216	16	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.1880	0.646	2	114.1880	0.418	2	113.8361	0.216	13	113.8087	0.216	16	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.7721	0.433	11	113.7721	0.188	11	113.8361	0.216	13	113.8087	0.216	16	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,2|H<1>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.7590	0.184	2	115.7590	0.034	2	115.3763	0.241	6	115.3763	0.241	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.0500	0.000	1	115.0500	0.000	1	115.3763	0.241	6	115.3763	0.241	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.4690	0.605	2	115.4690	0.366	2	115.3763	0.241	6	115.3763	0.241	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.7520	0.000	1	114.7520	0.000	1	115.3763	0.241	6	115.3763	0.241	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<4>,2|C<3>,4|H<1>}	115.9460	0.163	2	115.9460	0.026	2	115.9460	0.026	2	115.9460	0.026	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,1|O<1>,2|C<4>}	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.3160	0.754	2	116.3160	0.568	2	116.3160	0.568	2	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|H<1>,3|C<4>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	113.7717	0.362	4	113.8526	0.131	5	113.8526	0.131	5	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.1760	0.000	1	113.8526	0.131	5	113.8526	0.131	5	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.6630	0.000	1	113.6630	0.000	1	113.6630	0.000	1	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:O-1:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O){2|C<3>,4|C<4>}	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	114.1566	1.207	12	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H)	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.6290	0.000	1	116.6290	0.000	1	116.8910	0.137	2	116.9954	0.062	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.1530	0.000	1	117.1530	0.000	1	116.8910	0.137	2	116.9954	0.062	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.1890	0.000	1	117.1890	0.000	1	117.1633	0.006	3	116.9954	0.062	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	117.0790	0.000	1	117.0790	0.000	1	117.1633	0.006	3	116.9954	0.062	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.2220	0.000	1	117.2220	0.000	1	117.1633	0.006	3	116.9954	0.062	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	116.8480	0.270	2	116.8480	0.073	2	116.8480	0.073	2	116.9954	0.062	7	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	110.4376	0.366	9	110.4376	0.134	9	110.5145	0.095	21	110.5145	0.095	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H){2|C<4>,5|H<1>}	110.6550	0.000	1	110.6550	0.000	1	110.5145	0.095	21	110.5145	0.095	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	110.5646	0.269	11	110.5646	0.072	11	110.5145	0.095	21	110.5145	0.095	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H){2|C<3>,2|C<4>,2|H<1>}	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	116.4000	0.000	1	116.4000	0.000	1	116.4000	0.000	1	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[4x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,2|H<1>,4|C<4>}	114.0185	0.599	2	114.0185	0.359	2	114.0185	0.359	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	113.8450	0.639	2	113.8125	0.086	6	113.8125	0.086	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	113.7963	0.075	4	113.8125	0.086	6	113.8125	0.086	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.2820	0.283	3	114.2820	0.080	3	114.2820	0.080	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.9970	0.663	2	114.9970	0.440	2	114.9970	0.440	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.8645	0.383	2	114.8022	0.036	6	114.8022	0.036	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.7710	0.082	4	114.8022	0.036	6	114.8022	0.036	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	114.5992	0.171	4	114.5992	0.029	4	114.5992	0.029	4	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.4580	0.010	2	114.6640	0.127	3	114.6640	0.127	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,4|C<4>,4|H<1>}	115.0760	0.000	1	114.6640	0.127	3	114.6640	0.127	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	114.1480	0.472	2	113.9320	0.252	3	113.9320	0.252	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|H<1>,5|C<4>}	113.5000	0.000	1	113.9320	0.252	3	113.9320	0.252	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<4>,4|H<1>}	113.2750	0.464	2	113.6127	0.450	3	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.2880	0.000	1	113.6127	0.450	3	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.7990	0.000	1	114.7990	0.000	1	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.9300	0.000	1	113.9300	0.000	1	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.4967	0.181	8	114.4677	0.038	12	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.3085	0.221	2	114.4677	0.038	12	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.7080	0.000	1	114.4677	0.038	12	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	114.3130	0.000	1	114.4677	0.038	12	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	113.2805	0.650	2	113.2805	0.422	2	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.5450	0.000	1	114.5450	0.000	1	114.2142	0.309	20	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.1960	0.403	2	114.1960	0.162	2	114.1960	0.162	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	114.8160	0.000	1	114.8160	0.000	1	114.9928	0.146	4	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	115.1950	0.000	1	115.1950	0.000	1	114.9928	0.146	4	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	114.5530	0.000	1	114.5530	0.000	1	114.9928	0.146	4	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	115.4070	0.000	1	115.4070	0.000	1	114.9928	0.146	4	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	114.8170	0.182	3	114.8170	0.033	3	115.0721	0.136	8	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.8780	0.359	2	114.8780	0.129	2	115.0721	0.136	8	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	115.4567	0.145	3	115.4567	0.021	3	115.0721	0.136	8	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	115.1920	0.000	1	115.1920	0.000	1	114.6655	0.554	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	114.1390	0.000	1	114.1390	0.000	1	114.6655	0.554	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	114.5568	0.135	6	114.5568	0.018	6	114.5568	0.018	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){2|C<4>,5|H<1>}	114.6110	0.000	1	114.6110	0.000	1	114.4115	0.080	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	114.2120	0.000	1	114.2120	0.000	1	114.4115	0.080	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	114.8520	0.000	1	114.8520	0.000	1	114.6238	0.066	12	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	114.1360	0.000	1	114.1360	0.000	1	114.6238	0.066	12	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	114.6290	0.286	2	114.6290	0.082	2	114.6238	0.066	12	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	114.2650	0.000	1	114.2650	0.000	1	114.6238	0.066	12	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	114.6542	0.157	5	114.7107	0.030	7	114.6238	0.066	12	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	114.8520	0.156	2	114.7107	0.030	7	114.6238	0.066	12	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,3|C<4>,3|H<1>}	112.5270	0.000	1	112.8880	0.131	3	112.8880	0.131	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H){1|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	113.0685	0.258	2	112.8880	0.131	3	112.8880	0.131	3	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	114.3960	0.255	2	114.3960	0.065	2	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	114.5300	0.723	2	114.4038	0.252	4	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.2775	0.411	2	114.4038	0.252	4	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H){1|Br<1>,3|C<4>,3|H<1>}	115.0900	0.048	2	115.1157	0.003	3	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	115.1670	0.000	1	115.1157	0.003	3	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|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)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.6180	0.413	2	114.5013	0.262	6	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|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)(C[6,6]C[6,6]H)(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)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	114.0860	0.602	2	114.5013	0.262	6	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){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)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.8000	0.477	2	114.5013	0.262	6	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.5690	0.000	1	114.5690	0.000	1	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.5525	0.315	2	114.5525	0.099	2	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,1|W<7>,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]HW)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|W<7>,2|C<4>,3|H<1>}	113.7360	0.385	2	113.7360	0.148	2	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	113.8005	0.241	4	113.8005	0.058	4	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,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]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	113.8610	0.000	1	113.8610	0.000	1	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	114.1845	0.364	2	114.1845	0.133	2	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	114.1980	0.000	1	114.1980	0.000	1	114.3406	0.260	28	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]H)(H){1|O<2>,4|C<4>,5|H<1>}	114.8085	0.347	4	114.8085	0.121	4	114.8085	0.121	4	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.5935	0.196	2	114.5935	0.038	2	114.6353	0.038	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.7627	0.077	3	114.6562	0.049	4	114.6353	0.038	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|C<4>,5|H<1>}	114.3370	0.000	1	114.6562	0.049	4	114.6353	0.038	6	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	114.1620	0.000	1	114.1620	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,3|C<3>}	112.9950	0.000	1	112.9950	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){2|H<1>,2|O<2>,3|C<4>}	115.0635	0.517	4	115.0635	0.267	4	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|S<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){2|C<4>,2|S<2>,3|H<1>}	111.2415	3.862	2	111.2415	14.911	2	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	115.0950	0.000	1	115.0950	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.2325	0.203	2	114.0192	0.082	4	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	113.8060	0.147	2	114.0192	0.082	4	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,3|C<3>}	113.7780	0.000	1	113.7780	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	114.1291	0.210	8	114.1534	0.051	10	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	114.2505	0.360	2	114.1534	0.051	10	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H){2|C<2>,2|C<4>,3|H<1>}	114.8140	0.000	1	114.8140	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<2>,3|C<4>,3|H<1>}	114.8390	0.000	1	114.8775	0.003	2	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	114.9160	0.000	1	114.8775	0.003	2	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	114.1700	0.000	1	114.1700	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.6485	0.644	2	114.6485	0.415	2	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<2>,2|H<1>,3|C<4>}	113.9040	0.000	1	113.9040	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|S<4>,2|C<4>,3|H<1>}	113.5590	0.000	1	113.5590	0.000	1	114.1212	1.352	32	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	115.7015	0.244	2	115.6112	0.453	4	115.2630	0.623	7	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	115.5210	1.126	2	115.6112	0.453	4	115.2630	0.623	7	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,4|C<4>,4|H<1>}	114.7987	0.790	3	114.7987	0.624	3	115.2630	0.623	7	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	P[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]H)(H){1|As<3>,1|W<6>,2|C<4>,3|H<1>}	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|P<4>,2|C<4>,3|H<1>}	117.6315	0.049	2	117.6315	0.002	2	117.6315	0.002	2	114.4803	0.740	170	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO){3|C<4>,4|H<1>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	113.5212	3.849	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	113.5212	3.849	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	113.5212	3.849	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH){2|C<2>,2|C<4>,3|H<1>}	111.9240	0.000	1	111.9240	0.000	1	111.9240	0.000	1	113.5212	3.849	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	111.9300	0.000	1	111.6920	0.113	2	111.6920	0.113	2	113.5212	3.849	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){3|C<4>,3|H<1>}	111.4540	0.000	1	111.6920	0.113	2	111.6920	0.113	2	113.5212	3.849	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	117.3340	0.110	2	117.3340	0.012	2	117.3340	0.012	2	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.6510	0.000	1	115.6510	0.000	1	115.6510	0.000	1	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.6510	0.618	3	115.6510	0.382	3	115.6510	0.382	3	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH){1|H<1>,2|C<2>,4|C<4>}	116.3310	0.000	1	116.3310	0.000	1	115.9310	0.172	3	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	115.5020	0.000	1	115.5020	0.000	1	115.9310	0.172	3	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	115.9600	0.000	1	115.9600	0.000	1	115.9310	0.172	3	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH){2|C<2>,3|H<1>,5|C<4>}	116.3890	0.000	1	116.3890	0.000	1	116.3890	0.000	1	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){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)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){1|C<3>,1|H<1>,4|C<4>}	114.1920	0.000	1	114.9513	0.433	3	114.9513	0.433	3	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){2|C<3>,2|H<1>,3|C<4>}	115.3310	0.033	2	114.9513	0.433	3	114.9513	0.433	3	115.9044	0.730	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,2|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)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.5740	0.000	1	115.2175	0.254	2	114.7176	1.963	7	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.8610	0.000	1	115.2175	0.254	2	114.7176	1.963	7	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	115.6660	0.011	2	115.6660	0.000	2	114.7176	1.963	7	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.8880	0.000	1	114.8880	0.000	1	114.7176	1.963	7	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){2|C<4>,2|S<2>,3|H<1>}	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<4>,4|H<1>}	113.1840	2.120	2	113.1840	4.494	2	114.7176	1.963	7	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	114.5710	0.000	1	114.5710	0.000	1	115.3285	0.242	6	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	115.6710	0.332	2	115.6710	0.110	2	115.3285	0.242	6	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	115.2380	0.000	1	115.2380	0.000	1	115.3285	0.242	6	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	115.4100	0.518	2	115.4100	0.268	2	115.3285	0.242	6	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H){2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	114.9679	1.106	14	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:2:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H){1|C<3>,2|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)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	113.8845	0.178	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H){1|C<2>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	113.8845	0.178	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[3x6]C[6,6]O[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(COO)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]O)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(COO){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<1>,2|C<3>,3|C<4>}	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	114.2923	0.006	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[5,3x6]O)(H)	C[3x6](C[3x6]C[5,6,6]O[6]2)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(COO)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[5,6,6]O[6]2)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(COO){2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<2>,3|C<3>,3|C<4>}	114.2530	0.044	2	114.2530	0.002	2	114.2530	0.002	2	114.2923	0.006	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	115.6590	0.062	2	115.6590	0.004	2	115.6590	0.004	2	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	116.3045	1.044	2	116.3045	1.091	2	115.7669	0.623	13	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	116.3705	0.725	2	116.3705	0.525	2	115.7669	0.623	13	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	115.8953	0.086	4	115.8953	0.007	4	115.7669	0.623	13	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,3|C<4>}	114.1970	0.000	1	114.1970	0.000	1	115.7669	0.623	13	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	115.4605	0.736	4	115.4605	0.542	4	115.7669	0.623	13	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,3|H<1>,6|C<4>}	116.6550	0.000	1	116.3085	0.240	2	116.3085	0.240	2	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|H<1>,5|C<4>}	115.9620	0.000	1	116.3085	0.240	2	116.3085	0.240	2	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){2|H<1>,3|C<4>}	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(H){3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|Si<4>,4|H<1>,5|C<4>}	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<4>,3|C<4>,3|H<1>}	113.1870	0.000	1	113.3655	0.064	2	113.3655	0.064	2	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<4>,3|C<4>,3|H<1>}	113.5440	0.000	1	113.3655	0.064	2	113.3655	0.064	2	115.4588	1.165	21	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	115.8230	0.000	1	115.8230	0.000	1	115.7295	0.017	2	115.7295	0.017	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){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)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	115.6360	0.000	1	115.6360	0.000	1	115.7295	0.017	2	115.7295	0.017	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|B<6>,5|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	114.7540	0.000	1	114.7540	0.000	1	114.8575	0.141	4	114.5305	0.158	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	114.8920	0.453	3	114.8920	0.205	3	114.8575	0.141	4	114.5305	0.158	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,5|B<6>,7|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	114.4990	0.311	2	114.4990	0.097	2	114.3125	0.058	6	114.5305	0.158	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	114.2440	0.016	2	114.2440	0.000	2	114.3125	0.058	6	114.5305	0.158	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Si<4>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	114.1945	0.292	2	114.1945	0.085	2	114.3125	0.058	6	114.5305	0.158	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(CH3){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	115.5690	0.107	2	115.5690	0.012	2	115.5690	0.012	2	115.8885	0.142	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:Si-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(SiC3)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(SiC3){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Si<4>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	116.2080	0.075	2	116.2080	0.006	2	116.2080	0.006	2	115.8885	0.142	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:1:	6:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|B<6>,5|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	116.6100	0.429	2	116.6100	0.184	2	116.6100	0.184	2	116.6100	0.184	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	3:3:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]){1|H<1>,4|C<3>}	110.6686	0.336	8	110.6686	0.113	8	110.6686	0.113	8	110.6686	0.113	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:S-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO){1|H<1>,4|C<3>}	113.6100	0.000	1	113.6100	0.000	1	113.6100	0.000	1	113.6100	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:3:2:4:	4:3:3:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	114.2290	0.102	2	114.2290	0.010	2	114.2290	0.010	2	114.2290	0.010	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]O)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:3:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-2:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	114.0805	0.343	2	114.0805	0.118	2	114.0805	0.118	2	113.8417	0.144	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:3:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-2:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.6030	0.296	2	113.6030	0.087	2	113.6030	0.087	2	113.8417	0.144	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:O-2:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	116.6050	0.000	1	116.6050	0.000	1	116.6050	0.000	1	116.6050	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	111.2680	0.000	1	111.2680	0.000	1	111.5565	0.166	2	111.5565	0.166	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	111.8450	0.000	1	111.8450	0.000	1	111.5565	0.166	2	111.5565	0.166	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,5|C<4>}	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	115.4390	0.475	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,4|H<1>}	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	115.4390	0.475	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H){1|C<2>,1|W<7>,2|C<4>,3|H<1>}	116.2340	0.000	1	116.2340	0.000	1	116.2340	0.000	1	115.4390	0.475	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a])	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	110.7880	0.269	3	110.7880	0.072	3	110.7880	0.072	3	110.7880	0.072	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH){1|C<3>,2|C<4>,4|H<1>}	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	115.3715	0.102	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){2|C<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3){2|C<2>,2|C<4>,3|H<1>}	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	115.3715	0.102	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:2:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	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])(C[6,6]C[3x6]C)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,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])(C[6,6]C[3x6]C)(CCO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:Ge[3x6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](C[6,6]C[3x6]C[6a])(Ge[3x6]N[6,6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a])(Ge[3x6]N[6,6]2)(H){1|H<1>,6|C<3>}	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6]-3:C[6,6]-3:C-3:	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|C<1>,2|C<2>,2|C<3>}	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	114.1705	6.080	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:Cl-1:	C[3x6]-3:C[6,6]-3:C-3:	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl){2|C<3>,4|C<2>}	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|Cl<1>,2|C<2>,2|C<3>}	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	114.1705	6.080	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H){1|H<1>,1|I<1>,2|O<2>,4|C<3>}	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H){1|H<1>,4|C<3>}	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:S-2:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC){1|H<1>,4|C<3>}	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	113.6850	0.000	1	114.0405	0.253	2	113.9532	0.380	10	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	114.3960	0.000	1	114.0405	0.253	2	113.9532	0.380	10	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	113.7777	1.077	3	113.7777	1.159	3	113.9532	0.380	10	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	113.9640	0.359	3	113.8852	0.111	4	113.9532	0.380	10	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	113.6490	0.000	1	113.8852	0.111	4	113.9532	0.380	10	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2Pd)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|Pd<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Pd)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	114.5770	0.000	1	114.5770	0.000	1	113.9532	0.380	10	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	113.5090	0.000	1	113.5090	0.000	1	113.4480	0.067	6	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	113.4160	0.000	1	113.4160	0.000	1	113.4480	0.067	6	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	113.1320	0.000	1	113.4408	0.110	4	113.4480	0.067	6	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	113.8460	0.000	1	113.4408	0.110	4	113.4480	0.067	6	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	113.3925	0.254	2	113.4408	0.110	4	113.4480	0.067	6	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO){1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO){3|H<1>,4|C<3>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO){1|Pd<4>,1|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2Te)(C[6,6]C[3x6]C[6a])(CCH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){1|Te<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Te)(C[6,6]C[3x6]C[6a])(CCH){1|H<1>,6|C<3>}	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2){10|C<3>,1|H<1>}	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu){1|H<1>,4|C<3>}	112.0015	1.182	2	112.0015	1.396	2	111.8822	0.301	34	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni){1|H<1>,4|C<3>}	111.8603	0.458	14	111.8603	0.210	14	111.8822	0.301	34	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	111.9920	0.174	2	111.8861	0.339	18	111.8822	0.301	34	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	111.8728	0.617	16	111.8861	0.339	18	111.8822	0.301	34	112.6945	1.742	55	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au){1|H<1>,6|C<3>}	114.1190	0.000	1	113.3375	1.221	2	113.1423	0.268	8	113.1423	0.268	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au){1|H<1>,6|C<3>}	112.5560	0.000	1	113.3375	1.221	2	113.1423	0.268	8	113.1423	0.268	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|H<1>,6|C<3>}	113.1460	0.054	2	113.1460	0.003	2	113.1423	0.268	8	113.1423	0.268	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au){1|H<1>,6|C<3>}	112.7390	0.000	1	112.7390	0.000	1	113.1423	0.268	8	113.1423	0.268	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd){1|H<1>,6|C<3>}	113.1440	0.455	3	113.1440	0.207	3	113.1423	0.268	8	113.1423	0.268	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:2:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2){10|C<3>,1|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){5|C<3>}	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	115.1055	1.136	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	115.3480	1.162	3	115.3480	1.351	3	115.3480	1.351	3	115.1055	1.136	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|C<4>,6|C<3>}	114.8955	0.142	4	114.8955	0.020	4	114.8955	0.020	4	114.8955	0.020	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.5180	0.294	4	110.5180	0.087	4	110.5180	0.087	4	110.5180	0.087	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:2:3:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,9|C<3>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.5750	0.264	3	110.5750	0.070	3	110.5750	0.070	3	110.5750	0.070	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	114.4325	0.098	2	114.4880	0.008	4	114.4880	0.008	4	114.4880	0.008	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	114.5435	0.059	2	114.4880	0.008	4	114.4880	0.008	4	114.4880	0.008	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]N[5])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]N[5])(C[3x6]C[6,6]2H)(H){2|C<3>,3|C<4>,4|H<1>}	114.8410	0.493	3	114.8410	0.243	3	114.8410	0.243	3	114.8907	0.172	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[4x6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6,6]C[3x6]N[5])(C[4x6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]N[5])(C[4x6]C[3x6]2H)(H){1|C<3>,3|H<1>,5|C<4>}	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	114.8907	0.172	4	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5])(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	114.2445	0.190	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]N[5])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]N[5])(H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.2445	0.190	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>,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)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.6950	0.000	1	112.6950	0.000	1	112.9296	0.061	5	112.6815	0.190	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|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)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	112.8550	0.000	1	112.9882	0.058	4	112.9296	0.061	5	112.6815	0.190	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|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)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.2930	0.000	1	112.9882	0.058	4	112.9296	0.061	5	112.6815	0.190	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|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)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.9025	0.221	2	112.9882	0.058	4	112.9296	0.061	5	112.6815	0.190	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,1|C<4>,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)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.5530	0.435	4	112.5530	0.189	4	112.5530	0.189	4	112.6815	0.190	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO){5|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O){1|O<2>,4|C<4>,5|H<1>}	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	112.6815	0.190	10	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<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)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	112.7395	0.537	2	112.4183	0.240	4	112.5965	0.248	6	112.5965	0.248	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<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)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	112.0970	0.140	2	112.4183	0.240	4	112.5965	0.248	6	112.5965	0.248	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<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)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	113.2170	0.000	1	112.9530	0.139	2	112.5965	0.248	6	112.5965	0.248	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]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)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<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)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	112.6890	0.000	1	112.9530	0.139	2	112.5965	0.248	6	112.5965	0.248	6	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O){1|C<3>,1|C<4>,5|H<1>}	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	115.2275	3.213	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	P[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	115.2275	3.213	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:3:2:	4:3:2:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN){1|C<2>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	111.0815	0.139	2	111.0815	0.019	2	111.0815	0.019	2	111.0815	0.019	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:4:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:4:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3){2|C<4>,3|C<3>,4|H<1>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO){3|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.1290	0.000	1	114.1290	0.000	1	114.1290	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.0440	0.000	1	113.0440	0.000	1	113.0440	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH){2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,3|H<1>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	114.7650	0.000	1	114.7650	0.000	1	114.7650	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O){4|C<4>,6|H<1>}	111.9720	0.000	1	111.9645	0.000	2	111.9645	0.000	2	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O){5|C<4>,5|H<1>}	111.9570	0.000	1	111.9645	0.000	2	111.9645	0.000	2	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H){1|H<1>,2|C<4>,3|C<3>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	112.8320	1.875	9	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:2:	4:3:3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O){1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO)	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:3:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-3:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	117.9590	0.000	1	117.9590	0.000	1	117.9590	0.000	1	117.9590	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	112.4210	0.000	1	113.3850	1.859	2	112.8658	0.430	11	112.8658	0.430	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	114.3490	0.000	1	113.3850	1.859	2	112.8658	0.430	11	112.8658	0.430	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	112.4308	0.357	4	112.4308	0.128	4	112.8658	0.430	11	112.8658	0.430	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	112.7450	0.000	1	112.7450	0.000	1	112.8658	0.430	11	112.8658	0.430	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	113.2110	0.000	1	113.2110	0.000	1	112.8658	0.430	11	112.8658	0.430	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	113.0250	0.527	3	113.0250	0.278	3	112.8658	0.430	11	112.8658	0.430	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	113.2523	0.334	4	113.2523	0.111	4	112.8221	0.319	8	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	112.3920	0.374	4	112.3920	0.140	4	112.8221	0.319	8	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	118.2885	0.624	4	118.5490	0.419	6	118.4846	0.284	10	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	119.0700	0.334	2	118.5490	0.419	6	118.4846	0.284	10	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pt)(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pt)(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	118.3880	0.365	4	118.3880	0.133	4	118.4846	0.284	10	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(PC[6a]2S)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(PC[6a]2S){1|H<1>,4|C<3>}	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru){1|H<1>,2|C<4>,4|C<3>}	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru){1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru){2|C<4>,3|H<1>,4|C<3>}	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	113.2125	0.274	6	113.2125	0.075	6	113.2125	0.075	6	115.0761	6.777	29	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	111.9835	0.495	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,3|H<1>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.9835	0.495	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3){1|N<3>,3|C<4>,3|H<1>}	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.0953	0.680	3	113.0953	0.462	3	113.0953	0.462	3	112.4890	0.785	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	112.4890	0.785	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,5|H<1>}	112.1270	0.000	1	112.1270	0.000	1	112.2760	0.044	2	112.4890	0.785	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,5|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.2760	0.044	2	112.4890	0.785	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	112.4890	0.785	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:Si-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	112.4890	0.785	8	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:4:3:	3:4:3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	120.1465	0.152	2	120.1465	0.023	2	120.4377	0.266	3	120.4377	0.266	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:4:3:	3:4:3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|N<3>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	121.0200	0.000	1	121.0200	0.000	1	120.4377	0.266	3	120.4377	0.266	3	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:4:4:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	121.5040	0.000	1	121.5040	0.000	1	121.5040	0.000	1	121.5040	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|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)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	112.8770	0.000	1	112.8770	0.000	1	112.7935	0.014	2	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,3|C<3>}	112.7100	0.000	1	112.7100	0.000	1	112.7935	0.014	2	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	113.5930	0.511	2	113.1370	0.611	4	113.1370	0.611	4	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	112.6810	0.860	2	113.1370	0.611	4	113.1370	0.611	4	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br){2|C<4>,2|O<2>,3|H<1>}	110.8910	0.146	2	110.8910	0.021	2	110.8910	0.021	2	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.8520	0.000	1	112.9545	0.021	2	113.5435	0.252	8	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.0570	0.000	1	112.9545	0.021	2	113.5435	0.252	8	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,4|H<1>}	114.0540	0.000	1	114.0540	0.000	1	113.5435	0.252	8	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|O<1>,2|H<1>,3|C<4>}	112.9480	0.000	1	112.9480	0.000	1	113.5435	0.252	8	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.9360	0.112	2	113.8593	0.012	4	113.5435	0.252	8	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.7825	0.032	2	113.8593	0.012	4	113.5435	0.252	8	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	112.3580	0.270	3	112.4345	0.072	4	112.6879	0.457	10	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){5|C<4>,5|H<1>}	112.6640	0.000	1	112.4345	0.072	4	112.6879	0.457	10	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	113.0335	0.354	2	112.6996	0.682	5	112.6879	0.457	10	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){5|C<4>,5|H<1>}	112.4770	1.056	3	112.6996	0.682	5	112.6879	0.457	10	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	113.6430	0.000	1	113.6430	0.000	1	112.6879	0.457	10	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<4>,5|H<1>}	111.7335	0.347	2	111.7335	0.121	2	111.7335	0.121	2	112.8282	0.788	30	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi){2|C<3>,2|C<4>,3|H<1>}	111.8780	0.000	1	111.8780	0.000	1	112.1385	0.136	2	112.1385	0.136	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3){2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	112.3990	0.000	1	112.3990	0.000	1	112.1385	0.136	2	112.1385	0.136	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	114.8825	0.185	2	114.8825	0.034	2	114.8825	0.034	2	114.8825	0.034	2	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	115.9220	0.000	1	115.9220	0.000	1	115.5793	0.526	10	115.4034	0.814	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	114.4995	0.156	2	114.4995	0.024	2	115.5793	0.526	10	115.4034	0.814	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	115.2970	0.288	3	115.8389	0.298	7	115.5793	0.526	10	115.4034	0.814	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	116.3140	0.105	3	115.8389	0.298	7	115.5793	0.526	10	115.4034	0.814	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	116.0390	0.000	1	115.8389	0.298	7	115.5793	0.526	10	115.4034	0.814	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3){1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	115.4034	0.814	11	114.0341	3.876	902	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:2:	3:3:4:4:	3:3:3:	C[3x6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	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>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2{2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	123.0473	0.669	3	123.0473	0.447	3	123.0473	0.447	3	123.0473	0.447	3	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:2:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6])	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]N[6])(C[6]C[6,6a]H)(H){2|C<3>,3|C<4>}	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:1:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	119.6020	0.184	2	119.2774	0.328	5	119.2774	0.328	5	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	118.6705	0.104	2	119.2774	0.328	5	119.2774	0.328	5	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	119.8420	0.000	1	119.2774	0.328	5	119.2774	0.328	5	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	119.1825	0.303	2	119.1825	0.092	2	118.4159	0.423	8	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.0810	0.010	2	117.8623	0.143	3	118.4159	0.423	8	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.4250	0.000	1	117.8623	0.143	3	118.4159	0.423	8	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.4405	0.691	2	118.4583	0.240	3	118.4159	0.423	8	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.4940	0.000	1	118.4583	0.240	3	118.4159	0.423	8	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	118.7964	2.039	17	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	3:4:3:4:	3:3:2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	118.1665	0.029	2	118.1665	0.001	2	118.1665	0.001	2	118.1665	0.001	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:2:3:3:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(O[6]C[5,6,6])(O)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O){1|O<1>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[5,6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:2:3:3:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O){1|O<1>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	121.9960	0.000	1	121.9960	0.000	1	121.9960	0.000	1	121.9960	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:2:3:4:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-4:O[6,6]-2:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O){3|C<4>,4|H<1>}	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	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>}	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	120.8890	9.654	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:2:3:4:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-4:O[6,6]-2:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O){3|C<4>,4|H<1>}	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){2|C<4>,2|O<2>,3|H<1>}	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	120.8890	9.654	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:2:2:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6]){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O){1|O<1>,2|C<4>,3|O<2>}	118.6890	0.197	2	118.6890	0.039	2	118.6890	0.039	2	118.6890	0.039	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:2:2:	3:4:2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6]){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	120.4440	0.580	2	120.4440	0.336	2	120.4440	0.336	2	120.4440	0.336	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:3:2:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O)	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](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	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](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	119.3930	0.000	1	119.3930	0.000	1	119.3930	0.000	1	119.3930	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:3:2:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O)	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](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	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](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3){4|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	116.4855	0.052	2	116.4855	0.003	2	117.4742	1.308	4	117.2542	1.223	5	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3){4|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.4630	0.105	2	118.4630	0.011	2	117.4742	1.308	4	117.2542	1.223	5	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2{4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|N<3>,3|C<4>,3|H<1>}	116.3740	0.000	1	116.3740	0.000	1	116.3740	0.000	1	117.2542	1.223	5	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2{4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|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>}	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O){1|O<2>,2|H<1>,3|C<4>}	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:4:3:1:	3:4:2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.8560	0.665	2	122.8560	0.442	2	119.3822	16.329	4	119.3822	16.329	4	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	115.9085	0.527	2	115.9085	0.278	2	119.3822	16.329	4	119.3822	16.329	4	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:3:4:	3:3:2:2:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.2935	1.259	2	118.2935	1.586	2	118.2935	1.586	2	118.2935	1.586	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH){1|C<3>,6|C<4>}	118.2610	0.000	1	118.7180	0.206	3	118.7180	0.206	3	118.7180	0.206	3	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH){1|C<3>,6|C<4>}	118.9465	0.313	2	118.7180	0.206	3	118.7180	0.206	3	118.7180	0.206	3	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:2:4:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.4640	0.000	1	122.4640	0.000	1	122.4640	0.000	1	122.4640	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,3|C<3>,9|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6])	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<2>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6]){3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,3|C<4>}	117.1570	0.000	2	117.1570	0.000	2	117.1570	0.000	2	117.1570	0.000	2	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:2:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,2|O<2>,5|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){3|C<4>,5|H<1>}	121.5695	0.598	4	121.5695	0.357	4	121.5695	0.357	4	121.5695	0.357	4	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	122.2040	0.000	1	122.2040	0.000	1	122.2040	0.000	1	122.2040	0.000	1	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	121.3350	0.699	2	121.0938	0.354	5	121.0938	0.354	5	121.0938	0.354	5	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	120.5945	0.220	2	121.0938	0.354	5	121.0938	0.354	5	121.0938	0.354	5	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	121.6100	0.000	1	121.0938	0.354	5	121.0938	0.354	5	121.0938	0.354	5	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|Fe<7>,1|H<1>,5|C<4>}	118.3785	0.722	2	118.5647	0.365	3	118.5647	0.365	3	118.6185	0.255	4	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|Fe<7>,1|C<3>,1|H<1>,4|C<4>}	118.9370	0.000	1	118.5647	0.365	3	118.5647	0.365	3	118.6185	0.255	4	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]O)(H){6|C<4>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.6185	0.255	4	119.5786	4.137	72	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:3:	C[6,6]-3:C[4x6]-4:F-1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:F-1:	C[4,3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F)	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F)	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2)	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>,4|F<1>}	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:1:	C[6,6]-3:C[4x6]-4:F-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[6,6]-3:F-1:	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F)	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H)	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F)	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F){1|F<1>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H){2|C<4>,3|F<1>}	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F){1|H<1>,2|F<1>,3|C<4>}	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:3:	C[6,6]-3:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6](C[6,6]C[3x6]N[5])(C[4x6]C[3x6]2H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	C[6,6](C[6,6]C[3x6]N[5])(C[4x6]C[3x6]2H)(H){1|C<3>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|N<3>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	3:4:4:	4:4:3:1:	3:4:4:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	125.0200	0.000	1	125.0200	0.000	1	125.0200	0.000	1	125.0200	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:3:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H){1|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H){5|C<3>}	114.5820	0.304	2	114.5820	0.092	2	114.5820	0.092	2	114.5820	0.092	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-3:P[3x6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	118.6230	0.054	2	118.6230	0.003	2	118.6230	0.003	2	114.2298	11.617	6	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:O-1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|H<1>,2|C<3>,2|C<4>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	114.2298	11.617	6	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O){1|C<4>,1|H<1>,3|C<3>}	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	114.2298	11.617	6	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|C<4>,2|C<3>,2|H<1>}	111.8435	0.076	2	111.8435	0.006	2	111.8435	0.006	2	114.2298	11.617	6	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	117.1415	0.631	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	117.1415	0.631	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:4:3:3:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	113.5035	0.018	2	113.5035	0.000	2	113.5035	0.000	2	113.5035	0.000	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.2210	0.127	2	116.2210	0.016	2	116.2210	0.016	2	115.6028	0.537	4	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	114.9845	0.257	2	114.9845	0.066	2	114.9845	0.066	2	115.6028	0.537	4	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:2:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(H)	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)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(H){1|Br<1>,1|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)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	114.7145	0.300	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:2:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]H)(H)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[5,6]O[6,6])(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[5,6]O[6,6])(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,5|C<4>}	115.1020	0.000	1	115.1020	0.000	1	115.1020	0.000	1	114.7145	0.300	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	Si[4,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|Si<5>,2|Si<4>,1|H<1>,2|C<3>}	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|Si<5>,2|Si<4>,1|C<3>,2|H<1>}	118.5510	0.000	1	118.5510	0.000	1	118.5510	0.000	1	118.5510	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){1|C<3>,2|O<1>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6610	0.000	1	115.2610	0.903	4	115.2610	0.903	4	115.6181	0.679	10	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.8980	0.000	1	115.2610	0.903	4	115.2610	0.903	4	115.6181	0.679	10	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.7425	0.476	2	115.2610	0.903	4	115.2610	0.903	4	115.6181	0.679	10	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.3387	0.356	3	116.3387	0.127	3	116.2873	0.095	4	115.6181	0.679	10	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.1330	0.000	1	116.1330	0.000	1	116.2873	0.095	4	115.6181	0.679	10	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]H)(H)	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]H)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]H)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.9940	0.184	2	114.9940	0.034	2	114.9940	0.034	2	115.6181	0.679	10	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:2:	C[4x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC)	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,5|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){3|C<4>,4|H<1>}	112.4050	0.000	1	112.4050	0.000	1	113.1542	0.443	4	113.1542	0.443	4	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){3|C<4>,4|H<1>}	112.8450	0.000	1	112.8450	0.000	1	113.1542	0.443	4	113.1542	0.443	4	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){3|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	113.4480	0.000	1	113.6835	0.111	2	113.1542	0.443	4	113.1542	0.443	4	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){3|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	113.9190	0.000	1	113.6835	0.111	2	113.1542	0.443	4	113.1542	0.443	4	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-3:O[6,6]-2:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[5,6]O[6,6])(C[6,6]C[4x6]H)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[5,6]O[6,6])(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6]){5|H<1>,7|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,5|C<4>}	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:3:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	115.5110	0.000	1	115.5110	0.000	1	114.7760	1.080	2	114.7760	1.080	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:3:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	114.0410	0.000	1	114.0410	0.000	1	114.7760	1.080	2	114.7760	1.080	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|Si<4>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(H){3|H<1>,4|C<4>}	115.7960	0.000	1	115.7960	0.000	1	115.7960	0.000	1	115.2748	0.098	5	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	115.1445	0.130	4	115.1445	0.017	4	115.1445	0.017	4	115.2748	0.098	5	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:3:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]N[5])(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]N[5])(H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	112.6773	0.886	3	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:3:	C[4x6]-4:C[6,6]-3:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O)	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O){5|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	112.1750	0.000	1	112.1750	0.000	1	112.1345	0.003	2	112.6773	0.886	3	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:3:	C[4x6]-4:C[6,6]-3:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O){4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	112.0940	0.000	1	112.0940	0.000	1	112.1345	0.003	2	112.6773	0.886	3	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	116.6670	0.081	2	116.1171	1.511	8	116.1171	1.511	8	116.2458	1.217	12	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	116.1575	0.442	2	116.1171	1.511	8	116.1171	1.511	8	116.2458	1.217	12	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){5|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	115.5957	2.098	3	116.1171	1.511	8	116.1171	1.511	8	116.2458	1.217	12	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){5|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|H<1>,4|C<4>}	116.5010	0.000	1	116.1171	1.511	8	116.1171	1.511	8	116.2458	1.217	12	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	116.4215	0.754	2	116.5030	0.803	4	116.5030	0.803	4	116.2458	1.217	12	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[4x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	116.5845	1.347	2	116.5030	0.803	4	116.5030	0.803	4	116.2458	1.217	12	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:3:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O){1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO){5|C<4>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:2:	4:4:3:4:	3:4:4:	C[4x6]-4:C[6,6]-3:O[6]-2:	C[3x6]-4:C[3x6]-4:C[6,6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2)(O[6]C[6])	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH)	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2	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>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	125.0340	0.000	1	125.0340	0.000	1	125.0340	0.000	1	125.0340	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:3:	3:3:3:4:	3:4:1:	C[4x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.4190	0.197	2	114.4190	0.039	2	114.4190	0.039	2	114.4190	0.039	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:3:	4:3:2:4:	4:3:1:	C[4x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH)	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)(C[6,6]C[4x6]C)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH){2|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)(C[6,6]C[4x6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:3:	4:3:3:4:	4:3:3:	C[4x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	115.2380	0.000	1	115.2380	0.000	1	115.2380	0.000	1	115.2380	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:3:	4:4:3:1:	3:3:4:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	122.5045	0.006	2	122.5045	0.000	2	122.5045	0.000	2	122.5045	0.000	2	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH)	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH){2|C<2>,3|H<1>,5|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH){2|C<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	115.4970	7.312	71	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:3:2:3:	3:4:1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	121.4385	0.516	6	121.4385	0.266	6	121.4385	0.266	6	121.4385	0.266	6	121.1597	0.384	10	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:3:2:4:	3:4:1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H){1|O<2>,5|H<1>,8|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	121.1680	0.000	2	121.1597	0.384	10	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:3:2:4:	3:4:1:	C[5,6,6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H){1|O<2>,5|H<1>,9|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	121.1680	0.000	2	121.1597	0.384	10	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	119.9760	0.000	1	120.3150	0.230	2	120.3150	0.230	2	120.3150	0.230	2	121.1597	0.384	10	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	120.6540	0.000	1	120.3150	0.230	2	120.3150	0.230	2	120.3150	0.230	2	121.1597	0.384	10	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[5x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6,6]C[3x6]H)(H)	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H)	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:1:	C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<2>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.7200	0.000	1	115.2600	0.324	6	115.2600	0.324	6	115.2600	0.324	6	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:1:	C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|C<2>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<4>}	115.2290	0.000	1	115.2600	0.324	6	115.2600	0.324	6	115.2600	0.324	6	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:1:	C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	115.2195	0.337	2	115.2600	0.324	6	115.2600	0.324	6	115.2600	0.324	6	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:1:	C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.8800	0.000	1	115.2600	0.324	6	115.2600	0.324	6	115.2600	0.324	6	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:1:	C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.2920	0.000	1	115.2600	0.324	6	115.2600	0.324	6	115.2600	0.324	6	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[5x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5x6]-4:C[6,6]-3:C[6a]-3:	C[5,5x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2)	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H)	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>,8|C<3>}	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,1|P<4>,2|C<4>,5|C<3>}	114.1880	0.899	4	114.1880	0.808	4	114.1880	0.808	4	114.1880	0.808	4	114.9276	0.782	11	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[3x6]	3:4:3:	3:4:4:2:	4:3:4:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[3,6,6]-4:C[6,6]-3:C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	121.8465	0.576	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[3x6]	3:4:4:	4:3:2:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[4x6]-4:C[6,6]-3:O[6]-2:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	121.8465	0.576	2	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	122.5545	0.135	2	122.5545	0.018	2	122.5545	0.018	2	122.1930	0.401	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	122.1930	0.401	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:2:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6,6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6,6]-4:C[6,6]-3:	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])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6])	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>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6]){1|C<3>,4|H<1>,4|O<2>,5|C<4>}	121.7760	0.000	1	121.7760	0.000	1	121.7760	0.000	1	121.7760	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:3:4:4:	3:3:4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O){2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.1110	0.000	1	121.1110	0.000	1	121.1110	0.000	1	121.1110	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:3:4:4:	3:4:4:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,9|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<3>,3|C<4>}	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6]-3:C[6,6]-4:N[6]-3:	C[6,6]-3:C[6]-4:S[6]-2:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:3:1:	3:4:2:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]){1|Si<4>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6]){1|C<4>,2|H<1>,6|C<3>}	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	116.2075	0.803	2	116.2075	0.644	2	116.2075	0.644	2	116.2075	0.644	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	123.1330	0.014	2	123.1330	0.000	2	123.1330	0.000	2	123.1330	0.000	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	113.1295	0.354	2	113.1295	0.126	2	116.6397	37.027	3	116.6397	37.027	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	123.6600	0.000	1	123.6600	0.000	1	116.6397	37.027	3	116.6397	37.027	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:3:	4:3:4:1:	3:4:4:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:2:4:4:	3:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:3:4:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	121.0315	0.177	2	121.0315	0.032	2	121.0315	0.032	2	121.0315	0.032	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:2:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	122.1760	0.000	1	122.1760	0.000	1	121.0217	1.711	4	121.0217	1.711	4	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:2:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	122.1190	0.000	1	122.1190	0.000	1	121.0217	1.711	4	121.0217	1.711	4	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:2:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	119.8960	0.249	2	119.8960	0.062	2	121.0217	1.711	4	121.0217	1.711	4	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:3:4:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:1:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:2:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	123.0640	0.000	1	123.0640	0.000	1	123.0640	0.000	1	123.0640	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	122.7050	0.533	2	122.7050	0.284	2	122.7050	0.284	2	122.7050	0.284	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:3:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:4:	3:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	121.1475	0.333	2	121.1475	0.111	2	121.1475	0.111	2	121.1475	0.111	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:4:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	123.4655	0.127	2	123.4655	0.016	2	123.4655	0.016	2	123.4655	0.016	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	123.9353	0.304	3	123.9185	0.063	4	123.6652	0.368	5	123.6652	0.368	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	123.8680	0.000	1	123.9185	0.063	4	123.6652	0.368	5	123.6652	0.368	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	122.6520	0.000	1	122.6520	0.000	1	123.6652	0.368	5	123.6652	0.368	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	3:4:4:	4:4:3:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	119.9600	0.252	2	119.9600	0.063	2	119.7784	1.894	11	119.7784	1.894	11	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	119.7380	1.533	9	119.7380	2.350	9	119.7784	1.894	11	119.7784	1.894	11	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	119.5090	0.551	5	119.5090	0.303	5	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO){3|C<4>,4|H<1>}	119.4210	0.000	1	119.4210	0.000	1	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH){3|C<4>,4|H<1>}	121.1890	0.000	1	121.1890	0.000	1	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	121.0290	0.000	1	120.7155	0.197	2	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|C<4>,4|H<1>}	120.4020	0.000	1	120.7155	0.197	2	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH){3|C<4>,4|H<1>}	119.5250	0.000	1	119.5250	0.000	1	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3){3|C<4>,4|H<1>}	120.1050	0.202	3	120.1050	0.041	3	119.9558	0.475	13	119.9558	0.475	13	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	119.6500	0.322	3	119.6500	0.104	3	119.6500	0.104	3	119.6500	0.104	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:N-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H){2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|N<3>,3|C<4>,3|H<1>}	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	119.9930	0.028	2	119.9930	0.001	2	119.9930	0.001	2	119.9930	0.001	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:2:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	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>}	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	123.4080	0.000	1	123.4080	0.000	1	123.4080	0.000	1	123.4080	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:2:	3:4:4:2:	3:4:3:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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>}	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH){1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	124.8570	0.310	2	124.8570	0.096	2	124.8570	0.096	2	124.8570	0.096	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:2:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6]){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	127.1400	0.000	1	127.1400	0.000	1	127.1400	0.000	1	127.1400	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	121.6310	0.000	1	121.6310	0.000	1	121.6310	0.000	1	120.1216	5.223	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	119.1400	0.000	1	119.1400	0.000	1	118.5537	0.516	3	120.1216	5.223	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	118.2605	0.719	2	118.2605	0.517	2	118.5537	0.516	3	120.1216	5.223	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.3160	0.000	1	123.3160	0.000	1	123.3160	0.000	1	120.1216	5.223	5	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>}	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>}	119.2740	0.310	2	119.2740	0.096	2	119.2740	0.096	2	120.0801	1.184	7	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	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>}	119.4310	0.000	1	119.4655	0.002	2	120.4026	1.297	5	120.0801	1.184	7	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,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|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	119.5000	0.000	1	119.4655	0.002	2	120.4026	1.297	5	120.0801	1.184	7	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|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>}	122.2540	0.000	1	122.2540	0.000	1	120.4026	1.297	5	120.0801	1.184	7	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	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>}	120.4010	0.000	1	120.4140	0.000	2	120.4026	1.297	5	120.0801	1.184	7	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	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>}	120.4270	0.000	1	120.4140	0.000	2	120.4026	1.297	5	120.0801	1.184	7	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:2:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:3:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6])	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	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>}	120.0290	0.358	2	120.0290	0.128	2	120.0290	0.128	2	120.0290	0.128	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:3:2:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:3:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|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>}	120.6510	0.287	2	120.6510	0.082	2	120.6510	0.082	2	120.6510	0.082	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|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>}	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	118.7530	0.000	1	118.7530	0.000	1	119.3033	4.527	3	119.3033	4.527	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	121.6520	0.000	1	121.6520	0.000	1	119.3033	4.527	3	119.3033	4.527	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	117.5050	0.000	1	117.5050	0.000	1	119.3033	4.527	3	119.3033	4.527	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.6600	0.000	1	123.6600	0.000	1	123.7193	0.040	3	123.7193	0.040	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.7490	0.273	2	123.7490	0.074	2	123.7193	0.040	3	123.7193	0.040	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	117.0410	0.223	2	117.0410	0.050	2	119.0500	12.133	3	119.0500	12.133	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	123.0680	0.000	1	123.0680	0.000	1	119.0500	12.133	3	119.0500	12.133	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	122.0870	0.000	1	122.3875	0.181	2	122.3875	0.181	2	122.3875	0.181	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	122.6880	0.000	1	122.3875	0.181	2	122.3875	0.181	2	122.3875	0.181	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C-3:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){3|C<4>,4|H<1>}	116.4390	0.000	1	116.4390	0.000	1	116.5875	0.044	2	116.5875	0.044	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C-3:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){3|C<4>,4|H<1>}	116.7360	0.000	1	116.7360	0.000	1	116.5875	0.044	2	116.5875	0.044	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:2:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H){1|C<4>,7|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	116.3737	1.123	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	117.4520	0.000	1	117.4520	0.000	1	117.4520	0.000	1	116.3737	1.123	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	116.3737	1.123	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	123.9255	0.853	2	123.9255	0.728	2	123.9255	0.728	2	123.9255	0.728	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	118.7765	0.043	2	118.7765	0.002	2	118.7765	0.002	2	118.7765	0.002	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	122.8645	0.241	2	122.8645	0.058	2	123.1930	0.353	3	123.1930	0.353	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	123.8500	0.000	1	123.8500	0.000	1	123.1930	0.353	3	123.1930	0.353	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.9630	0.000	1	115.0780	0.386	4	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.5380	0.000	1	115.0780	0.386	4	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.4055	0.798	2	115.0780	0.386	4	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.7860	0.000	1	115.0550	0.674	3	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.1895	1.114	2	115.0550	0.674	3	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.0460	0.000	1	115.0460	0.000	1	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.9770	0.000	1	113.9770	0.000	1	114.9444	0.445	9	114.9444	0.445	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	116.8715	0.876	2	116.8715	0.768	2	119.5437	21.805	3	119.5437	21.805	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	124.8880	0.000	1	124.8880	0.000	1	119.5437	21.805	3	119.5437	21.805	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	124.0660	0.882	2	124.0660	0.779	2	125.6303	7.731	3	125.6303	7.731	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	128.7590	0.000	1	128.7590	0.000	1	125.6303	7.731	3	125.6303	7.731	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	121.0930	0.000	1	121.0930	0.000	1	121.0930	0.000	1	121.0930	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	121.8845	0.193	2	121.8845	0.037	2	121.8845	0.037	2	121.8845	0.037	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:2:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	121.3735	0.595	2	121.3735	0.354	2	121.3735	0.354	2	121.3735	0.354	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	120.3700	0.000	1	120.3700	0.000	1	120.3700	0.000	1	120.3700	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,5|H<1>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	124.1490	0.413	2	124.1490	0.171	2	124.1490	0.171	2	124.1490	0.171	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:3:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	120.4880	0.000	1	120.4880	0.000	1	120.4880	0.000	1	120.4880	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	123.5507	0.115	4	123.5507	0.013	4	123.3047	0.154	6	123.3047	0.154	6	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	122.7830	0.000	1	122.7830	0.000	1	123.3047	0.154	6	123.3047	0.154	6	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O){4|C<4>,4|H<1>}	122.8420	0.000	1	122.8420	0.000	1	123.3047	0.154	6	123.3047	0.154	6	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	122.3200	0.000	1	122.3200	0.000	1	122.8177	0.139	4	122.8177	0.139	4	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	123.1040	0.028	2	123.1040	0.001	2	122.8177	0.139	4	122.8177	0.139	4	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	122.7430	0.000	1	122.7430	0.000	1	122.8177	0.139	4	122.8177	0.139	4	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	121.7357	0.880	7	121.8967	0.643	10	121.8967	0.643	10	121.9939	0.578	12	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	122.2723	0.516	3	121.8967	0.643	10	121.8967	0.643	10	121.9939	0.578	12	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	122.4300	0.000	1	122.4300	0.000	1	122.4800	0.005	2	121.9939	0.578	12	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	122.5300	0.000	1	122.5300	0.000	1	122.4800	0.005	2	121.9939	0.578	12	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:3:2:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN){1|C<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	120.2610	0.279	2	120.2610	0.078	2	120.2610	0.078	2	120.2307	0.042	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:3:2:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.2307	0.042	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	118.7720	0.000	1	118.7720	0.000	1	121.3107	4.489	4	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	121.0800	0.000	1	121.0800	0.000	1	121.3107	4.489	4	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	123.9470	0.000	1	123.9470	0.000	1	121.3107	4.489	4	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	121.4440	0.000	1	121.4440	0.000	1	121.3107	4.489	4	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	123.4290	0.276	3	123.3842	0.059	4	123.3842	0.059	4	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	123.2500	0.000	1	123.3842	0.059	4	123.3842	0.059	4	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	122.2922	2.808	9	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	117.7780	0.000	1	117.7780	0.000	1	117.2875	0.481	2	117.2875	0.481	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	116.7970	0.000	1	116.7970	0.000	1	117.2875	0.481	2	117.2875	0.481	2	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:3:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO){4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	124.7380	0.000	1	124.7380	0.000	1	124.7380	0.000	1	124.7380	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	124.5200	0.000	1	124.5200	0.000	1	124.5200	0.000	1	124.5200	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	121.7670	0.000	1	121.7670	0.000	1	121.7670	0.000	1	122.7820	1.333	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	124.0380	0.000	1	124.0380	0.000	1	123.2895	1.121	2	122.7820	1.333	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:3:4:	4:3:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	122.5410	0.000	1	122.5410	0.000	1	123.2895	1.121	2	122.7820	1.333	3	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	120.8444	7.443	198	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:4:	3:3:2:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,7|C<3>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:4:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO){1|O<2>,1|S<4>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,7|C<3>}	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	119.9200	0.885	3	119.9200	0.784	3	120.1863	0.806	4	120.7222	2.041	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	120.9850	0.000	1	120.9850	0.000	1	120.1863	0.806	4	120.7222	2.041	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,5|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	120.7222	2.041	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:4:3:4:	3:3:4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,4|C<4>,5|C<3>}	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:3:4:	3:4:4:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO){1|S<4>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2){4|H<1>,5|C<3>,5|C<4>}	123.6050	0.000	1	123.6050	0.000	1	123.6050	0.000	1	123.6050	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:1:	3:3:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	119.3195	4.093	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.8890	0.000	1	117.8890	0.000	1	117.8890	0.000	1	119.3195	4.093	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	117.8965	0.409	2	117.8965	0.168	2	117.8965	0.168	2	117.8965	0.168	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|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[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	122.1175	0.235	2	122.1175	0.055	2	122.1175	0.055	2	122.1175	0.055	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,4|C<3>}	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,4|C<3>}	121.1605	0.426	4	121.1605	0.182	4	121.1605	0.182	4	121.1605	0.182	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:2:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H){1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|C<4>,1|O<2>,4|C<3>}	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:4:	3:4:2:	C[6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	120.7670	0.000	1	120.7670	0.000	1	122.1155	3.637	2	122.1155	3.637	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	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[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.4640	0.000	1	123.4640	0.000	1	122.1155	3.637	2	122.1155	3.637	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H)	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[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]N[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	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[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]N[6])(H){2|C<4>,3|C<3>,3|O<2>}	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	121.7575	0.144	2	121.7575	0.021	2	121.7575	0.021	2	121.2562	0.847	12	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.1795	0.071	2	121.8470	0.334	3	121.1559	0.966	10	121.2562	0.847	12	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.1820	0.000	1	121.8470	0.334	3	121.1559	0.966	10	121.2562	0.847	12	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.2460	0.000	1	122.2460	0.000	1	121.1559	0.966	10	121.2562	0.847	12	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6287	0.864	6	120.6287	0.746	6	121.1559	0.966	10	121.2562	0.847	12	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	114.7120	0.761	2	114.7120	0.579	2	114.7120	0.579	2	117.3708	6.609	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	119.5870	0.000	1	119.5870	0.000	1	119.1433	1.147	3	117.3708	6.609	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	118.9215	1.414	2	118.9215	1.998	2	119.1433	1.147	3	117.3708	6.609	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,4|C<3>}	120.2104	0.601	7	120.2104	0.362	7	120.2321	0.333	9	120.2321	0.333	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN){1|H<1>,2|C<4>,4|C<3>}	120.3080	0.690	2	120.3080	0.476	2	120.2321	0.333	9	120.2321	0.333	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.6820	0.441	3	121.6820	0.195	3	121.6820	0.195	3	121.7149	1.750	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.5930	2.223	3	121.5930	4.942	3	121.5930	4.942	3	121.7149	1.750	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	121.0570	0.000	1	121.0570	0.000	1	121.1660	0.036	3	121.7149	1.750	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	121.3860	0.000	1	121.3860	0.000	1	121.1660	0.036	3	121.7149	1.750	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	121.0550	0.000	1	121.0550	0.000	1	121.1660	0.036	3	121.7149	1.750	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	121.7149	1.750	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:3:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O){2|C<3>,2|H<1>,3|C<4>}	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	116.9165	25.826	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H){2|C<4>,2|H<1>,3|C<3>}	120.5100	0.000	1	120.5100	0.000	1	120.5100	0.000	1	116.9165	25.826	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:3:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	123.3695	1.292	2	123.3695	1.669	2	123.3695	1.669	2	123.3695	1.669	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]O)(H){2|C<3>,3|C<4>}	118.9785	0.214	2	118.9785	0.046	2	118.9785	0.046	2	118.9785	0.046	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:3:3:	C[6]-3:C[6,6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]B[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|B<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]B[5]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	116.2560	0.000	1	116.2560	0.000	1	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	121.4650	0.000	1	120.7979	3.038	7	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	121.5155	0.767	2	120.7979	3.038	7	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	121.4230	0.000	1	120.7979	3.038	7	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	121.4000	0.000	1	120.7979	3.038	7	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	121.3540	0.000	1	120.7979	3.038	7	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	116.9120	0.000	1	120.7979	3.038	7	120.2301	5.182	8	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	121.2915	0.162	2	121.2915	0.026	2	121.2915	0.026	2	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	120.3809	3.852	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:S-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(SCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(SCO){2|C<4>,2|H<1>,3|C<3>}	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:4:	3:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|S<2>,4|C<4>}	123.4467	0.113	3	123.4467	0.013	3	123.4467	0.013	3	120.3757	15.958	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:4:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	117.3047	3.404	3	117.3047	11.589	3	117.3047	11.589	3	120.3757	15.958	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:4:	4:3:1:	N[5,6]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H)	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[6,6]N[5,6])(H)	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[6,6]N[5,6])(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	119.9550	0.000	1	119.9550	0.000	1	119.9550	0.000	1	119.9550	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	3:4:3:	4:4:3:1:	4:3:2:	C[6]-3:C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O-2:	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:2:3:	3:3:2:1:	3:3:2:	C[6,6]-4:N[6]-2:C[6]-3:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-3:S-2:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]S)(SMo)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]S)(SMo){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.2275	0.317	2	111.2275	0.101	2	111.2275	0.101	2	111.2275	0.101	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:2:3:	3:4:4:1:	3:4:4:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	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>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){1|H<1>,5|C<4>}	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:2:3:	4:3:2:2:	3:3:4:	C[6,6]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3)	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3){3|C<4>,3|O<2>}	126.9090	0.000	1	126.9090	0.000	1	126.9090	0.000	1	126.9090	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:3:3:3:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	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>}	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	124.9620	0.000	1	124.9620	0.000	1	124.9620	0.000	1	124.9620	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:3:3:4:	3:4:4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:4:2:2:	3:3:1:	C[6,6]-4:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]N[6])(H){2|C<4>,3|C<3>,3|O<2>}	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	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>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	124.7140	0.000	1	124.7140	0.000	1	124.7140	0.000	1	124.7140	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){2|C<3>,2|C<4>,2|H<1>}	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H)	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>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	122.7780	0.000	1	122.7780	0.000	1	122.7780	0.000	1	122.7780	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	4:3:3:4:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)	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>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H){1|C<3>,5|C<4>}	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	120.2450	1.639	2	120.2450	2.687	2	120.2450	2.687	2	120.2450	2.687	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	118.7535	1.647	4	118.7535	2.713	4	118.7535	2.713	4	118.8060	1.477	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	118.8585	0.851	4	118.8585	0.725	4	118.8585	0.725	4	118.8060	1.477	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	121.1670	0.000	2	121.1670	0.000	2	121.1670	0.000	2	118.0035	13.344	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	114.8400	0.000	2	114.8400	0.000	2	114.8400	0.000	2	118.0035	13.344	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|S<4>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	118.4662	1.020	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	118.4662	1.020	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.6010	0.000	1	117.6010	0.000	1	118.1360	0.572	2	118.4662	1.020	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6710	0.000	1	118.6710	0.000	1	118.1360	0.572	2	118.4662	1.020	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	118.4662	1.020	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|S<4>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.6620	0.000	1	119.6620	0.000	1	120.9095	3.113	2	120.9095	3.113	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	122.1570	0.000	1	122.1570	0.000	1	120.9095	3.113	2	120.9095	3.113	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6]-4:N-2:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|O<2>}	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:3:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	115.8017	1.296	9	115.8017	1.681	9	115.8017	1.681	9	115.8017	1.681	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	122.8588	1.139	9	122.8588	1.298	9	122.8588	1.298	9	122.8588	1.298	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:1:	4:3:3:	C[6,6]-4:N[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:S[6]-2:H-1:	C[5,6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(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[6,6a])(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H){1|O<1>,2|O<2>,3|C<3>}	122.6160	0.008	2	122.6160	0.000	2	122.6160	0.000	2	119.4488	13.485	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(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[6,6a])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,2|O<2>,4|C<3>}	116.2815	0.575	2	116.2815	0.330	2	116.2815	0.330	2	119.4488	13.485	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>}	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	118.9320	1.384	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	118.9320	1.384	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:4:	3:3:4:	C[6,6]-4:B[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	118.4020	0.000	1	118.4020	0.000	1	117.3073	4.788	3	117.3073	4.788	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.7880	0.000	1	114.7880	0.000	1	117.3073	4.788	3	117.3073	4.788	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.7320	0.000	1	118.7320	0.000	1	117.3073	4.788	3	117.3073	4.788	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:2:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.8610	0.000	1	115.8610	0.000	1	115.8610	0.000	1	115.8610	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	122.5360	0.000	1	122.5360	0.000	1	121.1285	3.962	2	121.1285	3.962	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	119.7210	0.000	1	119.7210	0.000	1	121.1285	3.962	2	121.1285	3.962	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	118.6190	49.283	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	123.5830	0.000	1	123.5830	0.000	1	123.5830	0.000	1	118.6190	49.283	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(H){3|C<3>,3|C<4>}	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){1|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){1|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	118.9143	12.257	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	114.8820	0.000	1	114.8820	0.000	1	118.0310	19.832	2	118.9143	12.257	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1800	0.000	1	121.1800	0.000	1	118.0310	19.832	2	118.9143	12.257	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	124.5958	0.349	4	124.5958	0.121	4	124.5958	0.121	4	124.5958	0.121	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	113.4380	0.419	4	113.4380	0.176	4	113.4380	0.176	4	113.4380	0.176	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|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>}	123.1060	0.000	1	123.1060	0.000	1	123.1060	0.000	1	120.4600	1.845	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<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>}	119.9815	0.525	2	119.9815	0.276	2	119.9308	0.206	5	120.4600	1.845	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<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>}	120.3520	0.000	1	119.8970	0.270	3	119.9308	0.206	5	120.4600	1.845	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<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>}	119.3310	0.000	1	119.8970	0.270	3	119.9308	0.206	5	120.4600	1.845	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	120.0080	0.000	1	119.8970	0.270	3	119.9308	0.206	5	120.4600	1.845	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.2860	0.000	1	120.2480	0.849	4	120.2480	0.849	4	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.2353	1.128	3	120.2480	0.849	4	120.2480	0.849	4	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.7550	0.000	1	119.7550	0.000	1	115.6594	2.459	11	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	115.4250	0.000	1	114.8400	0.362	4	115.6594	2.459	11	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	114.6450	0.561	3	114.8400	0.362	4	115.6594	2.459	11	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.9450	0.000	1	113.9450	0.000	1	115.6594	2.459	11	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2{1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|H<1>,4|C<4>}	115.8386	0.486	5	115.8386	0.236	5	115.6594	2.459	11	116.8830	6.350	15	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	118.8970	0.000	1	118.8970	0.000	1	116.8840	8.104	2	116.8840	8.104	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	114.8710	0.000	1	114.8710	0.000	1	116.8840	8.104	2	116.8840	8.104	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2{1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	123.1870	0.343	5	123.1870	0.118	5	123.1870	0.118	5	121.6820	13.684	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	114.1570	0.000	1	114.1570	0.000	1	114.1570	0.000	1	121.6820	13.684	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	118.0010	0.000	1	118.0010	0.000	1	121.1865	2.975	6	121.1865	2.975	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.0250	0.793	2	122.0250	0.629	2	121.1865	2.975	6	121.1865	2.975	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.6180	0.000	1	122.2045	0.342	2	121.1865	2.975	6	121.1865	2.975	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.7910	0.000	1	122.2045	0.342	2	121.1865	2.975	6	121.1865	2.975	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	120.6590	0.000	1	120.6590	0.000	1	121.1865	2.975	6	121.1865	2.975	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.7385	0.068	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:1:	3:4:4:	C[6,6]-4:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	123.9230	0.000	1	123.9230	0.000	1	123.9230	0.000	1	123.7385	0.068	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:2:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	117.0160	0.000	1	117.0160	0.000	1	116.5890	0.365	2	116.5890	0.365	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:2:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.1620	0.000	1	116.1620	0.000	1	116.5890	0.365	2	116.5890	0.365	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	117.5240	0.000	1	117.5240	0.000	1	119.9350	11.626	2	119.9350	11.626	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	122.3460	0.000	1	122.3460	0.000	1	119.9350	11.626	2	119.9350	11.626	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	114.9500	0.000	1	114.9500	0.000	1	114.6105	0.231	2	114.6105	0.231	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	114.2710	0.000	1	114.2710	0.000	1	114.6105	0.231	2	114.6105	0.231	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[5,6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	124.7170	0.000	1	124.7170	0.000	1	124.7170	0.000	1	124.7530	0.003	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<1>,2|H<1>,4|C<4>}	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	124.7530	0.003	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:1:	3:3:3:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:S[6]-2:H-1:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	121.2955	0.779	2	121.2955	0.606	2	121.2955	0.606	2	120.7593	1.165	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:1:	3:3:3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	120.7593	1.165	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	120.0910	0.000	1	120.4905	0.319	2	120.4905	0.319	2	120.4905	0.319	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	120.8900	0.000	1	120.4905	0.319	2	120.4905	0.319	2	120.4905	0.319	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	118.7700	0.000	1	118.3175	0.410	2	118.3175	0.410	2	118.3175	0.410	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<4>,5|H<1>}	117.8650	0.000	1	118.3175	0.410	2	118.3175	0.410	2	118.3175	0.410	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,3|O<2>}	119.1010	0.194	2	119.1010	0.038	2	119.1010	0.038	2	119.1010	0.038	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:4:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[3,6]-4:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	120.5525	0.288	2	120.5525	0.083	2	120.5525	0.083	2	120.5525	0.083	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.7250	0.000	1	123.7250	0.000	1	123.7250	0.000	1	123.7250	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6,6]-3:C-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2{1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<2>,1|C<4>,2|O<2>,4|C<3>}	117.5560	0.000	1	117.5560	0.000	1	117.5560	0.000	1	117.5560	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:2:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6,6]-3:C-2:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2{1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|C<2>,1|O<1>,2|C<4>,4|C<3>}	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	122.4730	0.000	1	122.4730	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|N<2>,2|C<3>,3|C<4>}	119.7310	0.000	1	119.7310	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	124.2840	0.000	1	124.2840	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	117.9290	0.000	1	117.9290	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	121.7390	0.000	1	121.7390	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	116.2650	0.000	1	116.2650	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	121.2480	0.000	1	121.2480	0.000	1	120.5241	7.573	7	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	120.4267	6.567	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:N-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN){1|H<1>,2|C<3>,3|C<4>}	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	119.2790	14.130	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){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])(C[6,6]C[6,6]C[6])(OH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	119.2790	14.130	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	116.2180	0.000	1	116.2180	0.000	1	116.2180	0.000	1	118.6437	9.496	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	118.6437	9.496	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	118.6437	9.496	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){2|C<3>,2|H<1>,3|C<4>}	116.2460	0.000	1	116.2460	0.000	1	116.2460	0.000	1	116.2460	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.7750	0.170	2	121.7750	0.029	2	121.7750	0.029	2	120.6737	0.871	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<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>}	120.2640	0.000	1	120.1720	0.456	5	120.0695	0.428	6	120.6737	0.871	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|H<1>,4|C<4>}	120.1490	0.777	4	120.1720	0.456	5	120.0695	0.428	6	120.6737	0.871	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	119.5570	0.000	1	119.5570	0.000	1	120.0695	0.428	6	120.6737	0.871	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|C<4>,4|H<1>}	121.2400	0.000	1	121.2400	0.000	1	121.3850	0.042	2	120.6737	0.871	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<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>}	121.5300	0.000	1	121.5300	0.000	1	121.3850	0.042	2	120.6737	0.871	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C){3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	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>}	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	120.2915	0.145	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:4:	C[6,6]-4:C[6]-3:C[6]-3:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	120.0220	0.000	1	120.0220	0.000	1	120.0220	0.000	1	120.2915	0.145	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.4120	0.547	2	117.4120	0.300	2	117.4120	0.300	2	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	117.6740	0.000	1	117.6740	0.000	1	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	117.3820	0.000	1	117.4493	0.651	3	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	116.6780	0.000	1	117.4493	0.651	3	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	118.2880	0.000	1	117.4493	0.651	3	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	121.8120	0.000	1	120.3607	7.322	4	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	122.1390	0.000	1	120.3607	7.322	4	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	121.1420	0.000	1	120.3607	7.322	4	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	116.3500	0.000	1	120.3607	7.322	4	118.9331	5.659	8	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|O<2>}	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	117.6330	0.000	1	119.2700	2.161	4	119.2700	2.161	4	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	119.8157	1.206	3	119.2700	2.161	4	119.2700	2.161	4	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	117.6120	0.000	1	117.6120	0.000	1	118.9843	5.345	4	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	121.0360	0.000	1	121.0360	0.000	1	118.9843	5.345	4	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	120.8480	0.000	1	120.8480	0.000	1	118.9843	5.345	4	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[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>}	116.4410	0.000	1	116.4410	0.000	1	118.9843	5.345	4	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[5,6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C){3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|H<1>,5|C<4>}	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	118.8755	4.200	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	117.0630	0.000	1	117.0630	0.000	1	117.0630	0.000	1	116.2840	1.743	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	115.7920	0.000	1	115.7920	0.000	1	115.6375	1.057	4	116.2840	1.743	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	116.8240	0.000	1	116.8240	0.000	1	115.6375	1.057	4	116.2840	1.743	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	115.6150	0.000	1	115.6150	0.000	1	115.6375	1.057	4	116.2840	1.743	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	114.3190	0.000	1	114.3190	0.000	1	115.6375	1.057	4	116.2840	1.743	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.0910	0.000	1	118.0910	0.000	1	118.0910	0.000	1	116.2840	1.743	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	114.8780	0.000	1	114.8780	0.000	1	114.8780	0.000	1	116.4105	4.697	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	116.4105	4.697	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	115.9640	2.438	2	115.2237	4.616	3	115.2237	4.616	3	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	113.7430	0.000	1	115.2237	4.616	3	115.2237	4.616	3	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	115.9045	0.052	2	117.4073	6.777	3	117.4073	6.777	3	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	120.4130	0.000	1	117.4073	6.777	3	117.4073	6.777	3	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	122.4020	0.000	1	122.4020	0.000	1	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	121.1410	0.000	1	121.1410	0.000	1	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	123.1935	0.029	2	123.2323	0.005	3	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	123.3100	0.000	1	123.2323	0.005	3	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	123.7910	0.399	5	123.7910	0.159	5	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.3130	0.000	1	122.2504	0.741	5	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.2348	0.993	4	122.2504	0.741	5	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	121.1920	0.000	1	121.1920	0.000	1	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	122.3320	0.000	1	122.3320	0.000	1	122.7630	1.018	17	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	118.2005	0.006	2	118.3203	0.499	8	118.7432	2.047	9	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	118.0450	0.000	1	118.3203	0.499	8	118.7432	2.047	9	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	118.4232	0.913	5	118.3203	0.499	8	118.7432	2.047	9	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<4>,4|H<1>}	122.1270	0.000	1	122.1270	0.000	1	118.7432	2.047	9	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	122.0970	0.000	1	122.0970	0.000	1	122.6895	1.818	4	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	121.6840	0.000	1	121.6840	0.000	1	122.6895	1.818	4	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	122.3020	0.000	1	122.3020	0.000	1	122.6895	1.818	4	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	124.6750	0.000	1	124.6750	0.000	1	122.6895	1.818	4	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	120.7007	8.089	39	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O){2|H<1>,2|O<2>,6|C<4>}	116.5325	1.092	2	116.5325	1.194	2	116.5325	1.194	2	118.0907	7.880	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	118.0907	7.880	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	114.8770	0.000	1	114.8770	0.000	1	114.8770	0.000	1	116.9514	2.339	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,4|C<4>}	117.1880	0.000	1	117.1880	0.000	1	117.1880	0.000	1	116.9514	2.339	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	118.2760	0.911	2	118.2760	0.829	2	118.2760	0.829	2	116.9514	2.339	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,4|C<4>}	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	116.9514	2.339	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.7790	0.000	1	122.7790	0.000	1	123.3067	0.633	3	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	123.5705	0.921	2	123.5705	0.849	2	123.3067	0.633	3	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.4335	0.400	2	123.4335	0.160	2	122.6935	3.005	4	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	120.1280	0.000	1	120.1280	0.000	1	122.6935	3.005	4	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.7790	0.000	1	123.7790	0.000	1	122.6935	3.005	4	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<2>,3|C<4>,3|H<1>}	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	122.6202	2.105	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	118.8840	0.000	1	118.8840	0.000	1	119.1173	0.394	3	119.5945	1.173	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	119.2340	0.840	2	119.2340	0.706	2	119.1173	0.394	3	119.5945	1.173	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	119.5945	1.173	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|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>}	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	117.7307	8.114	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|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>}	115.9997	1.905	3	116.0673	2.437	4	116.0673	2.437	4	117.7307	8.114	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){2|H<1>,5|C<4>}	116.2700	0.000	1	116.0673	2.437	4	116.0673	2.437	4	117.7307	8.114	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|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>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	117.7307	8.114	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	112.9085	0.776	2	112.9085	0.602	2	112.9085	0.602	2	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:Br-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br){1|C<3>,2|H<1>,4|C<4>}	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	121.6000	0.000	1	121.6000	0.000	1	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	122.6980	0.000	1	122.6980	0.000	1	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	122.7800	0.044	2	122.7800	0.002	2	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.7260	0.000	1	123.4903	1.099	4	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	123.4117	1.270	3	123.4903	1.099	4	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	116.2497	0.235	3	116.2497	0.055	3	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.8937	0.364	3	122.8937	0.133	3	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	117.4320	0.000	1	117.4320	0.000	1	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.4940	0.000	1	122.4940	0.000	1	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.2910	0.000	1	117.2910	0.000	1	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.9550	0.000	1	122.9550	0.000	1	121.1901	8.730	18	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,4|C<4>}	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,4|C<4>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	116.5640	0.000	1	116.5640	0.000	1	118.5092	1.173	6	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	118.7595	0.916	2	118.8982	0.331	5	118.5092	1.173	6	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	118.9907	0.458	3	118.8982	0.331	5	118.5092	1.173	6	119.7239	11.603	31	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	116.8800	0.038	2	116.8800	0.001	2	116.8800	0.001	2	116.8800	0.001	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	118.1690	0.000	1	118.1690	0.000	1	118.1950	0.001	2	118.1950	0.001	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	118.2210	0.000	1	118.2210	0.000	1	118.1950	0.001	2	118.1950	0.001	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	122.9910	1.075	2	122.9910	1.155	2	122.9910	1.155	2	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O){1|H<1>,6|C<4>}	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	120.4180	0.000	1	120.4180	0.000	1	120.4180	0.000	1	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	125.3807	0.483	3	125.1912	0.299	4	125.1912	0.299	4	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	124.6230	0.000	1	125.1912	0.299	4	125.1912	0.299	4	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<2>,1|C<3>,1|H<1>,4|C<4>}	122.9175	0.281	2	122.9175	0.079	2	122.7440	0.125	4	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<4>}	122.8670	0.000	1	122.8670	0.000	1	122.7440	0.125	4	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	122.2740	0.000	1	122.2740	0.000	1	122.7440	0.125	4	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	120.1815	0.059	2	119.4958	1.122	6	119.4958	1.122	6	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	119.2550	1.427	3	119.4958	1.122	6	119.4958	1.122	6	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	118.8470	0.000	1	119.4958	1.122	6	119.4958	1.122	6	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O){3|H<1>,7|C<4>}	117.4860	0.000	1	117.4860	0.000	1	117.4860	0.000	1	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	122.6960	0.000	1	122.6960	0.000	1	123.1050	0.335	2	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	123.5140	0.000	1	123.5140	0.000	1	123.1050	0.335	2	121.1546	13.131	22	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	118.7835	2.448	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H){1|C<3>,3|H<1>,6|C<4>}	120.1280	0.146	2	120.1280	0.021	2	119.3037	2.049	3	118.7835	2.448	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	117.6550	0.000	1	117.6550	0.000	1	119.3037	2.049	3	118.7835	2.448	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:4:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	117.8597	1.060	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	120.0620	0.000	1	120.0620	0.000	1	120.0620	0.000	1	117.8597	1.060	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	117.3475	0.494	2	117.3475	0.244	2	117.5872	0.109	5	117.8597	1.060	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	117.7470	0.000	3	117.7470	0.000	3	117.5872	0.109	5	117.8597	1.060	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	124.5327	0.144	3	124.5327	0.021	3	124.5327	0.021	3	122.9390	10.173	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.1580	0.000	1	118.1580	0.000	1	118.1580	0.000	1	122.9390	10.173	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	117.4273	0.194	3	117.4273	0.037	3	117.4273	0.037	3	118.3600	3.504	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	118.3600	3.504	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	123.3280	0.052	2	123.3280	0.003	2	123.1390	0.030	5	123.1390	0.030	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	123.0130	0.000	3	123.0130	0.000	3	123.1390	0.030	5	123.1390	0.030	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl){1|C<3>,2|H<1>,4|C<4>}	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	119.7820	11.685	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	122.6270	0.000	1	122.6270	0.000	1	120.6342	9.160	5	119.7820	11.685	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.9500	0.000	2	122.9500	0.000	2	120.6342	9.160	5	119.7820	11.685	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	117.3220	0.000	2	117.3220	0.000	2	120.6342	9.160	5	119.7820	11.685	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	120.4900	0.000	1	120.4900	0.000	1	120.4900	0.000	1	120.4900	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:2:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|C<4>}	118.3200	0.000	1	118.3200	0.000	1	119.2745	1.822	2	119.2745	1.822	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:2:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	120.2290	0.000	1	120.2290	0.000	1	119.2745	1.822	2	119.2745	1.822	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,4|C<3>}	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H){1|C<3>,5|C<4>,6|H<1>}	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<3>,3|C<4>,6|H<1>}	122.8170	0.000	1	122.8170	0.000	1	122.8170	0.000	1	122.8170	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	122.2670	0.000	1	122.2670	0.000	1	122.1730	0.018	2	122.1730	0.018	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	122.0790	0.000	1	122.0790	0.000	1	122.1730	0.018	2	122.1730	0.018	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<4>,3|C<4>,6|H<1>}	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.2292	0.154	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	122.7960	0.000	1	122.7960	0.000	1	122.8115	0.000	2	123.2292	0.154	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|N<3>,1|S<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	122.8270	0.000	1	122.8270	0.000	1	122.8115	0.000	2	123.2292	0.154	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:Br-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	123.2292	0.154	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,6|C<4>}	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	123.2292	0.154	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:B[5]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2){1|C<3>,1|O<2>,7|C<4>,7|H<1>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	121.3085	3.691	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	P[5]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B){4|C<4>,4|H<1>,5|C<3>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	121.3085	3.691	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	122.6800	0.000	1	122.6800	0.000	1	122.1725	0.515	2	122.1725	0.515	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	121.6650	0.000	1	121.6650	0.000	1	122.1725	0.515	2	122.1725	0.515	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,6|H<1>}	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:2:2:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:2:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:S[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<4>}	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	121.1979	5.223	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	121.1979	5.223	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	119.2497	2.291	3	119.2497	5.247	3	119.9805	5.634	4	121.1979	5.223	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	122.1730	0.000	1	122.1730	0.000	1	119.9805	5.634	4	121.1979	5.223	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	121.1979	5.223	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H){2|C<3>,5|C<4>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH){2|C<3>,5|C<4>}	119.8940	0.000	1	120.1283	0.104	3	120.1283	0.104	3	120.1283	0.104	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH){2|C<3>,5|C<4>}	120.2455	0.354	2	120.1283	0.104	3	120.1283	0.104	3	120.1283	0.104	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	119.6140	0.771	2	119.6140	0.594	2	119.6140	0.594	2	119.6140	0.594	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	120.6595	0.001	2	120.6595	0.000	2	121.1137	0.619	3	121.5800	2.378	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.0220	0.000	1	122.0220	0.000	1	121.1137	0.619	3	121.5800	2.378	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.7610	0.000	1	120.2395	0.458	2	121.9297	3.963	4	121.5800	2.378	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.7180	0.000	1	120.2395	0.458	2	121.9297	3.963	4	121.5800	2.378	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	123.6200	0.052	2	123.6200	0.003	2	121.9297	3.963	4	121.5800	2.378	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	123.3940	0.000	2	123.3940	0.000	2	123.2880	0.034	3	123.2880	0.034	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	123.0760	0.000	1	123.0760	0.000	1	123.2880	0.034	3	123.2880	0.034	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:2:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:F-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	119.8032	0.260	6	119.8032	0.067	6	119.8032	0.067	6	119.8032	0.067	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.1270	0.000	1	123.1270	0.000	1	123.1270	0.000	1	123.1270	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	122.2780	0.113	2	122.2780	0.013	2	122.6050	0.327	11	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	121.4330	0.000	1	121.4330	0.000	1	122.6050	0.327	11	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	123.8110	0.000	1	123.8110	0.000	1	122.6050	0.327	11	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	122.5570	0.000	1	122.6615	0.022	2	122.6050	0.327	11	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.7660	0.000	1	122.6615	0.022	2	122.6050	0.327	11	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.7064	0.186	5	122.7064	0.034	5	122.6050	0.327	11	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	122.7991	0.835	14	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	118.7430	0.000	2	118.7430	0.000	2	119.6427	1.099	4	119.8180	0.978	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<2>,2|C<3>,3|C<4>}	120.5425	0.241	2	120.5425	0.058	2	119.6427	1.099	4	119.8180	0.978	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>}	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	119.8180	0.978	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a])	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	121.0600	0.000	1	121.0600	0.000	1	121.0600	0.000	1	121.0600	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.8075	0.263	4	121.8075	0.069	4	121.8033	0.206	8	121.8033	0.206	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	120.9320	0.000	1	120.9320	0.000	1	121.8033	0.206	8	121.8033	0.206	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	122.4240	0.000	1	122.0880	0.116	3	121.8033	0.206	8	121.8033	0.206	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.9200	0.252	2	122.0880	0.116	3	121.8033	0.206	8	121.8033	0.206	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){2|C<3>,5|C<4>}	120.4970	0.024	2	120.4970	0.001	2	120.4970	0.001	2	120.4970	0.001	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	124.4755	0.685	2	124.4755	0.469	2	123.6603	0.416	9	123.6603	0.416	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.4870	0.806	2	123.4870	0.650	2	123.6603	0.416	9	123.6603	0.416	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.4036	0.351	5	123.4036	0.123	5	123.6603	0.416	9	123.6603	0.416	9	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	123.2670	0.000	1	123.2670	0.000	1	122.9513	0.124	3	122.9513	0.124	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	122.5710	0.000	1	122.5710	0.000	1	122.9513	0.124	3	122.9513	0.124	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	123.0160	0.000	1	123.0160	0.000	1	122.9513	0.124	3	122.9513	0.124	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:2:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO){1|O<2>,3|H<1>,4|C<4>}	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:2:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|C<3>,3|C<4>,4|H<1>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	122.8000	0.000	1	122.8000	0.000	1	122.6217	0.027	3	122.6217	0.027	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	122.4740	0.000	1	122.5325	0.007	2	122.6217	0.027	3	122.6217	0.027	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	122.5910	0.000	1	122.5325	0.007	2	122.6217	0.027	3	122.6217	0.027	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	118.9810	0.000	1	118.9810	0.000	1	121.7847	5.918	3	121.7847	5.918	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	123.1865	0.214	2	123.1865	0.046	2	121.7847	5.918	3	121.7847	5.918	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	122.2630	0.011	2	122.2630	0.000	2	122.2630	0.000	2	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	123.1595	0.531	2	123.1595	0.282	2	122.2730	2.499	3	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	120.5000	0.000	1	120.5000	0.000	1	122.2730	2.499	3	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	123.6380	0.000	1	123.6380	0.000	1	123.6380	0.000	1	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	121.2800	0.313	2	121.2800	0.098	2	121.2800	0.098	2	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:Br-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br){2|C<3>,2|C<4>,4|H<1>}	121.1570	0.172	3	121.1570	0.030	3	121.1570	0.030	3	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|B<4>,2|C<4>,5|H<1>}	121.9980	0.000	1	121.9980	0.000	1	123.1303	5.799	8	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	121.4840	0.000	1	121.5740	0.014	3	123.1303	5.799	8	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	121.6190	0.123	2	121.5740	0.014	3	123.1303	5.799	8	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	124.5805	2.805	4	124.5805	7.869	4	123.1303	5.799	8	122.3420	3.064	21	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,2|H<1>,5|C<4>}	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	120.5590	8.177	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	122.5810	0.000	1	122.5810	0.000	1	122.5810	0.000	1	120.5590	8.177	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	122.3110	0.000	1	122.5255	0.092	2	122.5255	0.092	2	122.4727	0.054	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	122.7400	0.000	1	122.5255	0.092	2	122.5255	0.092	2	122.4727	0.054	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	122.3670	0.000	1	122.3670	0.000	1	122.3670	0.000	1	122.4727	0.054	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,2|H<1>,5|C<4>}	118.6730	0.000	1	120.3620	2.217	3	120.3620	2.217	3	121.8285	5.049	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<3>,2|H<1>,4|C<4>}	121.2065	0.394	2	120.3620	2.217	3	120.3620	2.217	3	121.8285	5.049	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.9990	0.000	1	120.9990	0.000	1	123.2950	3.954	3	121.8285	5.049	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	124.4430	0.000	2	124.4430	0.000	2	123.2950	3.954	3	121.8285	5.049	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:2:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){2|H<1>,6|C<4>}	122.5020	0.000	1	122.5020	0.000	1	122.5020	0.000	1	122.5020	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	117.9920	0.000	1	117.9920	0.000	1	117.9920	0.000	1	121.1854	5.463	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|H<1>,5|C<4>}	119.0820	0.000	1	119.0820	0.000	1	119.2225	0.039	2	121.1854	5.463	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>,4|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|O<2>,5|C<4>}	119.3630	0.000	1	119.3630	0.000	1	119.2225	0.039	2	121.1854	5.463	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	123.6305	0.138	2	123.3307	0.279	3	122.9652	0.720	4	121.1854	5.463	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.7310	0.000	1	123.3307	0.279	3	122.9652	0.720	4	121.1854	5.463	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	121.8690	0.000	1	121.8690	0.000	1	122.9652	0.720	4	121.1854	5.463	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	121.4590	0.000	1	121.4590	0.000	1	123.1500	0.709	6	122.9971	0.482	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	123.4882	0.167	5	123.4882	0.028	5	123.1500	0.709	6	122.9971	0.482	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	123.1600	0.000	1	123.1600	0.000	1	122.7678	0.147	4	122.9971	0.482	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	122.5175	0.387	2	122.5175	0.150	2	122.7678	0.147	4	122.9971	0.482	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	122.8760	0.000	1	122.8760	0.000	1	122.7678	0.147	4	122.9971	0.482	10	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[5,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H){2|C<3>,7|C<4>}	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	122.2258	3.087	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){3|H<1>,5|C<4>}	121.8510	0.276	2	121.8510	0.076	2	122.8424	1.007	5	122.2258	3.087	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	123.4570	0.000	1	123.5033	0.339	3	122.8424	1.007	5	122.2258	3.087	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	123.5265	0.821	2	123.5033	0.339	3	122.8424	1.007	5	122.2258	3.087	6	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){4|C<4>,4|H<1>}	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	122.7640	0.383	2	122.7640	0.147	2	123.0990	0.208	4	123.0990	0.208	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	123.4340	0.164	2	123.4340	0.027	2	123.0990	0.208	4	123.0990	0.208	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	121.8420	0.000	1	121.8420	0.000	1	122.8596	0.324	5	122.4383	1.160	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H){1|C<4>,3|O<2>,4|H<1>}	123.1140	0.029	4	123.1140	0.001	4	122.8596	0.324	5	122.4383	1.160	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	122.4383	1.160	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	122.4383	1.160	7	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.1074	9.004	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	116.5255	0.361	2	116.5255	0.131	2	116.5255	0.131	2	122.1074	9.004	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	122.9030	0.000	1	122.9030	0.000	1	121.8883	0.781	3	122.1074	9.004	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	121.3810	0.133	2	121.3810	0.018	2	121.8883	0.781	3	122.1074	9.004	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	124.3686	0.125	5	124.3686	0.016	5	124.3686	0.016	5	122.1074	9.004	11	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.9610	0.000	1	122.9610	0.000	1	122.9610	0.000	1	122.9610	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-3:C[6]-3:N-2:	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN)	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.3185	0.152	2	122.3185	0.023	2	122.3185	0.023	2	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	121.4445	0.443	2	121.4445	0.197	2	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	122.1270	0.318	2	121.8162	0.339	6	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	121.6607	0.659	4	121.8162	0.339	6	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.1475	0.291	8	122.1585	0.105	10	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.2025	0.590	2	122.1585	0.105	10	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.6410	0.514	9	122.3388	0.516	25	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	122.1981	0.815	14	122.3388	0.516	25	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	121.9630	0.501	2	122.3388	0.516	25	122.1823	0.422	43	122.1884	0.404	45	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	120.2915	0.913	2	120.7910	1.165	3	120.7910	1.165	3	120.7910	1.165	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	121.7900	0.000	1	120.7910	1.165	3	120.7910	1.165	3	120.7910	1.165	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	120.6600	0.000	1	120.6600	0.000	1	118.3405	10.760	2	118.3405	10.760	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,7|C<4>}	116.0210	0.000	1	116.0210	0.000	1	118.3405	10.760	2	118.3405	10.760	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	120.7310	0.000	1	120.7310	0.000	1	122.1137	2.829	7	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	118.9180	0.000	1	118.9180	0.000	1	122.1137	2.829	7	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.5120	0.000	1	123.0294	0.165	5	122.1137	2.829	7	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	123.3535	0.223	2	123.0294	0.165	5	122.1137	2.829	7	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	122.9640	0.352	2	123.0294	0.165	5	122.1137	2.829	7	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H){2|H<1>,6|C<4>}	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	120.7950	0.000	1	120.7950	0.000	1	122.5037	0.617	19	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,5|H<1>}	123.4880	0.000	1	123.4880	0.000	1	122.5037	0.617	19	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	122.3280	0.000	1	122.3280	0.000	1	122.5037	0.617	19	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	122.5599	0.690	16	122.5599	0.476	16	122.5037	0.617	19	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.5880	0.000	1	121.5880	0.000	1	121.8250	0.112	2	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	122.0620	0.000	1	122.0620	0.000	1	121.8250	0.112	2	122.3640	1.063	30	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:P-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	125.6050	0.000	1	125.6050	0.000	1	125.6050	0.000	1	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.5680	0.000	1	123.2425	0.910	2	121.5754	1.799	18	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	123.9170	0.000	1	123.2425	0.910	2	121.5754	1.799	18	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	123.2010	0.000	1	120.8677	0.971	12	121.5754	1.799	18	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.6555	0.689	11	120.8677	0.971	12	121.5754	1.799	18	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.3050	0.000	1	123.3050	0.000	1	121.5754	1.799	18	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	122.7183	0.501	3	122.7183	0.251	3	121.5754	1.799	18	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	121.6700	0.000	1	121.2137	0.232	3	119.2064	7.743	5	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	121.2600	0.000	1	121.2137	0.232	3	119.2064	7.743	5	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	120.7110	0.000	1	121.2137	0.232	3	119.2064	7.743	5	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	116.1955	0.538	2	116.1955	0.290	2	119.2064	7.743	5	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	120.7260	0.000	1	120.5960	0.467	3	120.5960	0.467	3	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	121.2050	0.000	1	120.5960	0.467	3	120.5960	0.467	3	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	119.8570	0.000	1	120.5960	0.467	3	120.5960	0.467	3	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H){4|C<4>,4|H<1>}	123.8820	0.000	1	123.8820	0.000	1	123.8820	0.000	1	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.5620	0.000	1	121.4860	0.012	2	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.4100	0.000	1	121.4860	0.012	2	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.1490	0.000	1	121.8571	0.305	14	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.9942	0.416	11	121.8571	0.305	14	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.5530	0.000	1	121.8571	0.305	14	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.3620	0.000	1	121.8571	0.305	14	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<4>}	121.8330	0.000	1	121.8330	0.000	1	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	124.1080	0.000	1	124.1080	0.000	1	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H){1|O<2>,4|C<4>,6|H<1>}	123.6748	0.240	4	123.6748	0.058	4	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	122.6780	0.000	1	122.7783	1.565	6	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	122.3800	0.000	1	122.7783	1.565	6	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	122.9230	2.676	2	122.7783	1.565	6	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	122.4170	0.000	1	122.7783	1.565	6	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	123.3490	0.000	1	122.7783	1.565	6	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	123.2466	0.295	5	123.3874	0.135	8	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	123.6220	0.409	3	123.3874	0.135	8	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	120.8540	0.000	1	120.8540	0.000	1	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	123.4580	0.000	1	123.4580	0.000	1	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	122.9280	0.000	1	122.9280	0.000	1	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<2>,3|C<4>,4|H<1>}	123.9145	0.323	4	123.9145	0.104	4	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.5810	0.000	1	122.5810	0.000	1	122.7014	1.080	44	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	121.5510	0.000	1	121.5510	0.000	1	122.9270	1.436	3	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	123.6150	0.178	2	123.6150	0.032	2	122.9270	1.436	3	122.0959	3.150	76	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO){1|H<1>,7|C<4>}	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	119.1144	3.813	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	118.1190	0.000	1	117.2300	1.581	2	117.2300	1.581	2	119.1144	3.813	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	116.3410	0.000	1	117.2300	1.581	2	117.2300	1.581	2	119.1144	3.813	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	120.8730	0.567	2	120.8730	0.322	2	120.8730	0.322	2	119.1144	3.813	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<2>,4|C<4>,9|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	123.8970	0.000	1	123.8970	0.000	1	123.8970	0.000	1	123.2193	0.677	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	123.2880	0.000	1	123.2880	0.000	1	122.9933	0.710	3	123.2193	0.677	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	123.6490	0.000	1	123.6490	0.000	1	122.9933	0.710	3	123.2193	0.677	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	122.0430	0.000	1	122.0430	0.000	1	122.9933	0.710	3	123.2193	0.677	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	121.1093	3.863	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,5|C<4>}	118.2100	0.000	1	118.2100	0.000	1	120.6707	4.640	3	121.1093	3.863	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	122.2160	0.000	1	121.9010	0.198	2	120.6707	4.640	3	121.1093	3.863	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	121.5860	0.000	1	121.9010	0.198	2	120.6707	4.640	3	121.1093	3.863	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	123.3575	1.534	2	123.3575	2.352	2	123.3575	2.352	2	123.3575	2.352	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	123.1360	0.000	1	123.1360	0.000	1	123.1420	0.000	2	123.1420	0.000	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	123.1480	0.000	1	123.1480	0.000	1	123.1420	0.000	2	123.1420	0.000	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	121.9210	0.000	1	121.4455	1.130	4	121.4455	1.130	4	121.4455	1.130	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	121.8680	0.000	1	121.4455	1.130	4	121.4455	1.130	4	121.4455	1.130	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	120.9965	1.607	2	121.4455	1.130	4	121.4455	1.130	4	121.4455	1.130	4	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	121.4110	0.119	2	121.4110	0.014	2	122.0137	1.097	3	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	123.2190	0.000	1	123.2190	0.000	1	122.0137	1.097	3	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|O<2>,6|C<4>}	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H)	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H){8|C<4>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	120.6050	0.000	1	121.0440	0.196	3	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	121.2635	0.322	2	121.0440	0.196	3	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	117.6450	0.000	1	117.6450	0.000	1	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	122.2230	0.698	3	120.3714	1.004	21	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	119.1530	0.133	2	120.3714	1.004	21	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,3|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	120.4620	0.000	1	120.3714	1.004	21	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	120.1575	0.606	15	120.3714	1.004	21	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	117.4770	0.000	1	117.4770	0.000	1	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,6|C<4>}	118.8700	0.000	1	118.8985	0.002	2	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,6|C<4>}	118.9270	0.000	1	118.8985	0.002	2	120.1375	1.498	28	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	121.1880	0.000	1	121.1880	0.000	1	122.1367	0.770	3	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.6110	0.437	2	122.6110	0.191	2	122.1367	0.770	3	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){4|C<4>,4|H<1>}	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	121.5480	0.158	2	121.6167	0.027	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	121.7540	0.000	1	121.6167	0.027	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,3|H<1>,4|C<4>}	122.5870	0.000	1	122.5870	0.000	1	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	120.1780	0.000	1	120.1780	0.000	1	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	123.0320	0.000	1	122.8903	0.030	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	122.9420	0.000	1	122.8903	0.030	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	122.6970	0.000	1	122.8903	0.030	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){4|C<4>,4|H<1>}	122.8960	0.783	3	122.8960	0.614	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.8298	0.365	6	122.7081	0.378	68	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	123.3224	0.791	5	122.7081	0.378	68	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.9527	0.182	8	122.7081	0.378	68	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.5877	0.632	48	122.7081	0.378	68	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.7260	0.000	1	122.7081	0.378	68	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	123.8075	0.312	2	123.8020	0.049	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	123.7910	0.000	1	123.8020	0.049	3	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.9440	0.000	1	122.9440	0.000	1	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	119.6950	1.048	2	119.6950	1.098	2	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	120.3730	0.444	2	120.3730	0.197	2	122.5702	0.806	87	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,1|O<2>,4|C<4>}	120.3580	0.003	2	120.3580	0.000	2	121.0997	1.650	3	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	122.5830	0.000	1	122.5830	0.000	1	121.0997	1.650	3	121.9118	2.116	127	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	121.5425	0.349	4	121.5425	0.122	4	121.5425	0.122	4	121.8080	0.309	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	121.5310	0.000	1	121.5310	0.000	1	122.0735	0.411	4	121.8080	0.309	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	122.2780	0.000	1	122.2780	0.000	1	122.0735	0.411	4	121.8080	0.309	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC){4|C<4>,4|H<1>}	121.5940	0.000	1	121.5940	0.000	1	122.0735	0.411	4	121.8080	0.309	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){4|C<4>,4|H<1>}	122.8910	0.000	1	122.8910	0.000	1	122.0735	0.411	4	121.8080	0.309	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	122.9720	0.000	1	122.9720	0.000	1	122.9720	0.000	1	122.9720	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	121.5820	0.128	3	121.3912	0.156	4	121.3912	0.156	4	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	120.8190	0.000	1	121.3912	0.156	4	121.3912	0.156	4	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.8850	0.000	1	120.4947	0.271	23	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	119.3410	0.000	1	120.4947	0.271	23	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.5880	0.244	4	120.4947	0.271	23	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.3072	0.477	9	120.4947	0.271	23	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.7545	0.476	8	120.4947	0.271	23	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	119.8280	0.000	1	119.8280	0.000	1	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){8|C<4>}	117.9597	0.557	4	117.9597	0.310	4	120.1088	1.069	28	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	121.0400	0.000	1	121.0400	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	121.1650	0.000	1	121.1650	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H){1|Re<8>,4|H<1>,6|C<4>}	122.3880	0.000	1	122.3880	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	122.9627	0.852	3	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,5|C<4>}	122.1700	0.000	1	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	122.4160	0.727	4	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.0632	0.438	6	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.6073	0.275	3	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	122.9419	0.942	7	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.5330	0.253	3	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	123.4290	0.000	1	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	123.2925	0.982	2	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.9660	0.000	1	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	122.9226	0.684	108	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.4600	0.291	2	122.9621	0.478	141	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){3|H<1>,5|C<4>}	123.3560	0.268	6	123.3560	0.072	6	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	122.9500	0.000	1	122.9500	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.5960	0.000	1	123.5960	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<4>}	123.9880	0.000	1	123.9880	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|N<3>,2|H<1>,5|C<4>}	122.5950	1.130	2	122.5950	1.277	2	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	123.3280	0.000	1	123.3280	0.000	1	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	123.1745	0.820	2	123.1745	0.672	2	122.9607	0.506	158	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	123.8540	0.000	1	123.8540	0.000	1	123.8540	0.000	1	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	123.6390	0.000	1	123.6390	0.000	1	123.6390	0.000	1	122.5203	1.625	192	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH){2|H<1>,6|C<4>}	118.9515	0.972	2	118.9515	0.945	2	118.9515	0.945	2	118.9515	0.945	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	124.7250	0.000	1	124.7250	0.000	1	124.4620	0.138	2	124.2418	0.435	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	124.1990	0.000	1	124.1990	0.000	1	124.4620	0.138	2	124.2418	0.435	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[5,6]-4:C-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	124.7350	0.000	1	124.7350	0.000	1	124.7350	0.000	1	124.2418	0.435	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	123.1320	0.000	1	123.1320	0.000	1	123.1320	0.000	1	124.2418	0.435	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	124.4180	0.000	1	124.4180	0.000	1	124.4180	0.000	1	124.2418	0.435	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){3|H<1>,5|C<4>}	121.3840	0.000	1	121.3840	0.000	1	121.3840	0.000	1	119.8984	6.867	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	116.6630	0.000	1	116.6630	0.000	1	117.0825	0.352	2	119.8984	6.867	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	117.5020	0.000	1	117.5020	0.000	1	117.0825	0.352	2	119.8984	6.867	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	121.9715	0.675	2	121.9715	0.456	2	121.9715	0.456	2	119.8984	6.867	5	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|H<1>,4|C<4>}	116.4370	0.000	1	116.4370	0.000	1	117.8649	1.035	8	117.8649	1.035	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	119.2740	0.000	1	119.2740	0.000	1	117.8649	1.035	8	117.8649	1.035	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	117.7120	0.000	1	117.7120	0.000	1	117.8649	1.035	8	117.8649	1.035	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC){1|C<3>,3|C<4>,4|H<1>}	116.7950	0.000	1	116.7950	0.000	1	117.8649	1.035	8	117.8649	1.035	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	118.1753	0.745	4	118.1753	0.555	4	117.8649	1.035	8	117.8649	1.035	8	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	118.3175	0.368	2	118.3175	0.136	2	118.3175	0.136	2	118.3175	0.136	2	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO){3|C<3>,3|C<4>,4|H<1>}	117.2440	0.309	3	117.2440	0.095	3	117.2440	0.095	3	117.2440	0.095	3	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	120.2210	0.000	1	120.2210	0.000	1	120.2210	0.000	1	120.2210	0.000	1	121.1969	6.434	1181	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:3:4:	3:4:4:4:	4:4:3:	C[3x6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[4,4,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2){1|C<2>,1|C<3>,2|H<2>,5|C<4>,5|H<1>}	123.7090	0.000	1	123.7090	0.000	1	123.7090	0.000	1	123.7090	0.000	1	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:4:3:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	119.4002	0.193	4	119.4002	0.037	4	119.4002	0.037	4	119.4002	0.037	4	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:4:3:	3:4:4:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	118.7290	0.091	2	118.7290	0.008	2	120.2045	2.907	4	120.2045	2.907	4	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:4:3:	3:4:4:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	121.6800	0.058	2	121.6800	0.003	2	120.2045	2.907	4	120.2045	2.907	4	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:4:4:	3:2:1:1:	4:3:3:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	C[6](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[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:4:4:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	122.9365	0.338	4	122.9365	0.114	4	122.9365	0.114	4	122.9365	0.114	4	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[3x6]	3:4:4:	3:4:3:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	118.6693	0.264	4	118.6693	0.070	4	118.6693	0.070	4	118.6693	0.070	4	120.5167	3.652	18	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:3:4:4:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	127.5760	0.116	2	127.5760	0.013	2	127.5760	0.013	2	127.5760	0.013	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	124.5070	0.000	1	124.5070	0.000	1	125.0630	0.382	3	125.0630	0.382	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	124.9530	0.000	1	124.9530	0.000	1	125.0630	0.382	3	125.0630	0.382	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	125.7290	0.000	1	125.7290	0.000	1	125.0630	0.382	3	125.0630	0.382	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	125.1130	0.000	1	125.2690	0.049	2	125.2690	0.049	2	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	125.4250	0.000	1	125.2690	0.049	2	125.2690	0.049	2	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	125.5900	0.000	1	125.5900	0.000	1	125.4550	0.018	3	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	125.3200	0.000	1	125.3200	0.000	1	125.4550	0.018	3	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.018	3	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	125.7070	0.502	2	125.7117	0.126	3	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	125.7210	0.000	1	125.7117	0.126	3	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	125.5250	0.000	1	125.5250	0.000	1	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	125.7408	0.310	6	125.7408	0.096	6	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	124.9380	0.000	1	124.9380	0.000	1	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	126.0580	0.000	1	126.0580	0.000	1	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	125.4560	0.624	5	125.4560	0.389	5	125.6106	0.200	17	125.4290	0.545	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	3:2:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,3|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[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH)	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH){1|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6]){1|S<2>,3|H<1>,5|C<3>}	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	3:4:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	112.9850	0.000	1	113.4408	0.905	4	113.4408	0.905	4	115.5622	23.182	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	113.5927	1.104	3	113.4408	0.905	4	113.4408	0.905	4	115.5622	23.182	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	115.5622	23.182	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:2:1:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|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[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:2:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:3:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:2:4:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	113.2383	0.691	3	113.2383	0.477	3	113.2383	0.477	3	113.2383	0.477	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<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>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:1:	3:3:4:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	122.8500	0.000	1	122.8500	0.000	1	122.8500	0.000	1	122.8500	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,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>,4|C<3>}	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:4:4:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](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>}	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:S[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,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|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	121.7200	0.000	1	121.7200	0.000	1	121.7200	0.000	1	118.8017	4.489	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	117.5375	0.994	4	117.5375	0.988	4	117.5375	0.988	4	118.8017	4.489	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,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>,2|C<3>,2|H<1>,3|C<4>}	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	118.8017	4.489	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	116.3160	0.102	2	116.3160	0.010	2	117.2910	1.280	4	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){1|Cu<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	118.2660	0.165	2	118.2660	0.027	2	117.2910	1.280	4	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	120.9980	0.000	1	120.9980	0.000	1	118.3929	4.151	9	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	118.3295	0.723	6	118.3295	0.522	6	118.3929	4.151	9	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	120.5450	0.000	1	120.5450	0.000	1	118.3929	4.151	9	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.0160	0.000	1	114.0160	0.000	1	118.3929	4.151	9	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{7|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	115.3260	0.000	1	115.3260	0.000	1	115.3260	0.000	1	117.8590	3.640	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	121.5725	0.197	4	121.5725	0.039	4	118.4181	16.160	8	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.2640	0.000	1	120.2640	0.000	1	118.4181	16.160	8	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	113.8000	0.000	1	113.5970	0.032	3	118.4181	16.160	8	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	113.4640	0.000	1	113.5970	0.032	3	118.4181	16.160	8	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.5270	0.000	1	113.5970	0.032	3	118.4181	16.160	8	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2{1|C<4>,4|C<3>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	120.6600	0.000	1	120.6600	0.000	1	120.6600	0.000	1	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	123.4550	0.000	1	123.4550	0.000	1	116.8770	19.243	4	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	114.5500	0.000	1	114.6843	0.018	3	116.8770	19.243	4	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	114.6850	0.000	1	114.6843	0.018	3	116.8770	19.243	4	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	114.8180	0.000	1	114.6843	0.018	3	116.8770	19.243	4	118.5171	14.410	15	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	121.4497	0.854	4	121.4497	0.729	4	123.0397	1.667	12	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	124.3035	0.322	2	124.3035	0.104	2	123.0397	1.667	12	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.6845	0.222	4	123.6845	0.049	4	123.0397	1.667	12	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.6665	0.378	2	123.6665	0.143	2	123.0397	1.667	12	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O){2|C<3>,3|C<4>,9|H<1>}	121.6380	0.000	1	121.6380	0.000	1	121.6380	0.000	1	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	123.1753	0.319	3	123.1753	0.102	3	123.2224	0.055	5	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	123.2930	0.000	2	123.2930	0.000	2	123.2224	0.055	5	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	121.6320	0.000	2	121.6320	0.000	2	121.6320	0.000	2	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	123.2210	0.000	1	123.2210	0.000	1	122.6521	0.229	11	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	122.9970	0.000	1	122.9970	0.000	1	122.6521	0.229	11	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	122.6593	0.203	4	122.6593	0.041	4	122.6521	0.229	11	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	122.7087	0.337	4	122.7087	0.113	4	122.6521	0.229	11	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	121.4830	0.000	1	121.4830	0.000	1	122.6521	0.229	11	122.4460	3.108	34	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	120.7525	0.295	2	120.7525	0.087	2	120.7525	0.087	2	120.7274	1.460	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,8|H<1>}	122.6660	0.000	1	122.6660	0.000	1	122.6660	0.000	1	120.7274	1.460	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	119.8220	0.000	1	119.8220	0.000	1	119.7330	0.016	2	120.7274	1.460	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.6440	0.000	1	119.6440	0.000	1	119.7330	0.016	2	120.7274	1.460	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	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>}	120.3430	0.000	1	120.3430	0.000	1	120.3430	0.000	1	121.2585	1.676	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	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>}	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	121.2585	1.676	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	121.7060	0.556	2	121.7060	0.309	2	121.7060	0.309	2	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.8910	0.768	2	121.8910	0.590	2	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	122.0360	0.786	2	122.2887	0.501	3	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	122.7940	0.000	1	122.2887	0.501	3	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	123.2710	0.190	2	123.1510	0.061	3	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	122.9110	0.000	1	123.1510	0.061	3	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	123.3400	0.000	1	123.3400	0.000	1	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	122.0567	0.576	3	122.0567	0.331	3	122.4676	0.528	12	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	122.6920	0.000	1	122.6920	0.000	1	122.3020	0.493	6	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	121.7210	0.000	1	121.7210	0.000	1	122.3020	0.493	6	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	121.3660	0.000	1	121.3660	0.000	1	122.3020	0.493	6	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	122.9560	0.458	2	122.9560	0.210	2	122.3020	0.493	6	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	122.1210	0.000	1	122.1210	0.000	1	122.3020	0.493	6	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	121.7510	0.000	1	121.7510	0.000	1	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	123.9590	0.000	1	123.8600	0.020	2	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.7610	0.000	1	123.8600	0.020	2	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	122.0397	0.558	14	122.0397	0.312	14	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	122.0390	0.322	6	122.0390	0.104	6	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	123.8215	0.712	2	123.8215	0.507	2	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	124.2240	0.735	29	124.2240	0.541	29	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.5280	0.152	5	123.5280	0.023	5	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	123.2910	0.665	2	123.2910	0.442	2	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	123.8960	0.684	2	123.8960	0.469	2	123.3717	1.323	63	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	122.2400	0.000	2	122.2400	0.000	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	122.0315	1.439	2	122.4017	1.446	3	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	123.1420	0.000	1	122.4017	1.446	3	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	122.0550	0.000	1	122.0055	0.005	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	121.9560	0.000	1	122.0055	0.005	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.2260	0.234	3	123.1480	0.061	4	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	122.9140	0.000	1	123.1480	0.061	4	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	123.5850	0.000	1	123.5850	0.000	1	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	122.5410	0.137	2	122.5410	0.019	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	122.8560	0.223	2	122.8560	0.050	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	122.5174	0.294	15	122.5174	0.087	15	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	122.7422	0.154	4	122.7422	0.024	4	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	123.1750	0.000	1	123.1750	0.000	1	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	122.8407	0.650	7	122.8407	0.422	7	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	120.9950	0.470	2	120.9950	0.220	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	121.7680	0.000	1	122.6805	1.665	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	123.5930	0.000	1	122.6805	1.665	2	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	122.9320	0.528	2	122.8850	0.146	3	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	122.7910	0.000	1	122.8850	0.146	3	122.6093	0.385	50	122.8689	1.342	135	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	122.2340	0.000	1	122.2340	0.000	1	122.2340	0.000	1	122.1515	0.421	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,6|H<1>}	121.5965	0.583	2	121.5965	0.340	2	121.5965	0.340	2	122.1515	0.421	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:4:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	122.8560	0.041	2	122.8560	0.002	2	122.8560	0.002	2	122.1515	0.421	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	4:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	122.1515	0.421	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:2:1:	3:4:4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.2460	0.000	1	123.2460	0.000	1	123.2460	0.000	1	123.2460	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd){1|C<4>,3|H<1>,4|C<3>}	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,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|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	121.8060	6.829	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.1515	1.672	2	123.1515	2.797	2	123.1515	2.797	2	121.8060	6.829	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:P-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1	123.2114	0.853	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	122.8125	0.277	4	122.8125	0.077	4	122.8125	0.077	4	123.2114	0.853	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:1:	4:4:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	117.0610	0.095	2	117.0610	0.009	2	117.0610	0.009	2	117.0610	0.009	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	121.8280	0.180	4	121.8280	0.032	4	121.7685	0.042	6	121.7685	0.042	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC){1|Cr<9>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC){1|Cr<9>,3|H<1>,5|C<4>}	121.6495	0.262	2	121.6495	0.069	2	121.7685	0.042	6	121.7685	0.042	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[4,4,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC)	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC){1|C<2>,1|C<3>,2|H<2>,3|H<1>,5|C<4>}	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:3:4:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	124.1455	0.026	2	124.1455	0.001	2	124.1455	0.001	2	124.1455	0.001	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	125.1300	0.000	1	126.1103	0.785	3	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	126.6005	0.359	2	126.1103	0.785	3	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	126.7030	0.017	2	126.7030	0.000	2	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	126.6700	0.000	1	125.8530	1.335	2	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	125.0360	0.000	1	125.8530	1.335	2	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	126.1652	0.519	5	126.2292	0.153	10	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	126.2932	0.255	5	126.2292	0.153	10	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	124.8147	0.179	3	125.2920	0.933	4	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	126.7240	0.000	1	125.2920	0.933	4	126.0430	0.532	21	126.0430	0.532	21	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,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>}	121.9220	0.000	1	121.9220	0.000	1	121.9220	0.000	1	121.9220	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,5|H<1>}	124.2850	0.000	1	124.2850	0.000	1	124.9125	0.788	2	124.3543	1.942	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O){3|C<4>,4|H<1>}	125.5400	0.000	1	125.5400	0.000	1	124.9125	0.788	2	124.3543	1.942	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|W<6>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	122.4190	0.000	1	122.4190	0.000	1	123.7960	3.792	2	124.3543	1.942	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	125.1730	0.000	1	125.1730	0.000	1	123.7960	3.792	2	124.3543	1.942	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	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>,6|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	127.5220	0.266	3	127.5220	0.071	3	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	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>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	125.6950	0.277	2	126.0969	0.176	12	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	126.1773	0.405	10	126.0969	0.176	12	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	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>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	126.0810	0.134	2	126.0810	0.018	2	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	126.3035	0.680	4	126.3035	0.463	4	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	125.1110	0.000	1	124.6183	0.180	7	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	124.5362	0.399	6	124.6183	0.180	7	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){2|C<4>,6|H<1>}	125.2480	0.000	1	125.2480	0.000	1	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	126.1300	0.000	1	126.1300	0.000	1	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	126.5160	0.000	1	126.5160	0.000	1	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	125.5230	0.000	1	125.2697	0.091	3	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	125.3510	0.000	1	125.2697	0.091	3	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	124.9350	0.000	1	125.2697	0.091	3	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	125.3220	0.000	1	125.3220	0.000	1	125.8417	0.811	35	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,5|C<3>,5|H<1>}	125.0090	0.000	1	124.9924	0.532	5	124.9924	0.532	5	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	124.9037	1.011	3	124.9924	0.532	5	124.9924	0.532	5	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	125.2420	0.000	1	124.9924	0.532	5	124.9924	0.532	5	125.7355	0.843	40	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH){1|Br<1>,2|C<4>,5|H<1>}	126.1760	0.000	1	126.1760	0.000	1	126.1760	0.000	1	126.1760	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6])	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	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>}	123.6830	0.966	2	123.6830	0.933	2	123.6830	0.933	2	123.6830	0.933	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	121.7490	0.196	3	121.7490	0.038	3	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	123.7660	0.000	1	123.7660	0.000	1	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	124.3067	0.221	3	124.4472	0.112	4	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){5|C<4>,6|H<1>}	124.8690	0.000	1	124.4472	0.112	4	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	125.8080	0.184	4	125.9941	0.154	7	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	125.6650	0.000	1	125.9941	0.154	7	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	126.5200	0.000	1	125.9941	0.154	7	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	126.5420	0.000	1	125.9941	0.154	7	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	126.0930	0.000	1	126.0930	0.000	1	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	125.3910	0.000	1	125.3910	0.000	1	124.7203	2.670	17	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	125.1470	0.096	2	125.1470	0.009	2	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	125.3065	0.155	2	125.3065	0.024	2	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	124.5040	0.000	1	124.5040	0.000	1	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,2|O<2>,7|H<1>}	124.8390	0.000	1	124.8390	0.000	1	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	123.9510	0.000	1	123.9510	0.000	1	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	125.3160	0.000	1	125.3160	0.000	1	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	125.0590	0.000	1	125.1920	0.035	2	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	125.3250	0.000	1	125.1920	0.035	2	124.9901	0.205	10	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	124.2530	0.000	1	125.0085	1.142	2	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	125.7640	0.000	1	125.0085	1.142	2	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[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]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	124.7745	0.097	2	125.7191	0.208	47	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[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]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	124.6455	0.506	2	125.7191	0.208	47	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[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]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	125.9380	0.336	8	125.7191	0.208	47	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[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]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	125.7843	0.339	35	125.7191	0.208	47	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	124.7635	0.189	4	125.0932	0.285	6	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	125.7525	0.117	2	125.0932	0.285	6	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[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]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	125.1350	0.000	1	125.1350	0.000	1	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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|N<2>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	125.9700	0.311	2	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	124.3620	0.000	1	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	125.0510	0.000	1	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	126.4463	0.446	3	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	125.7710	0.000	1	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	126.2569	0.320	11	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.4447	0.365	4	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	126.6452	0.526	5	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	124.9800	0.666	3	126.1043	0.484	31	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	126.0360	0.385	8	126.0238	0.121	10	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.1280	0.000	1	126.0238	0.121	10	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	125.8220	0.000	1	126.0238	0.121	10	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	127.0510	0.000	1	127.0510	0.000	1	125.8268	0.388	98	125.6094	0.840	125	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	125.9190	0.000	1	125.9190	0.000	1	125.9190	0.000	1	125.2940	0.781	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	124.6690	0.000	1	124.6690	0.000	1	124.6690	0.000	1	125.2940	0.781	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:2:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	124.7330	0.000	1	124.7330	0.000	1	124.7330	0.000	1	124.7330	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	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>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	124.8410	0.000	1	124.8410	0.000	1	124.8410	0.000	1	124.8410	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:4:4:	3:4:2:	C[6,6]-3:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]N[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]N[6]){1|Pu<11>,1|C<3>,2|H<1>,3|C<4>}	123.0810	0.828	4	123.0810	0.686	4	123.1495	0.365	8	123.1495	0.365	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	3:4:4:4:	3:4:2:	C[6,6]-3:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]N[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]N[6]){1|Pu<11>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	123.2180	0.391	4	123.2180	0.153	4	123.1495	0.365	8	123.1495	0.365	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:2:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6]){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]){1|Si<4>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	126.0890	0.000	1	126.0890	0.000	1	126.0890	0.000	1	126.0890	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:2:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	121.1255	1.452	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:2:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	120.6870	1.012	3	120.6870	1.025	3	120.6870	1.025	3	121.1255	1.452	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:2:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	125.3610	0.000	1	125.3610	0.000	1	125.3610	0.000	1	125.3610	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:2:2:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6])	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:2:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.1620	0.000	1	122.7985	0.264	2	122.7985	0.264	2	122.7985	0.264	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:2:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.4350	0.000	1	122.7985	0.264	2	122.7985	0.264	2	122.7985	0.264	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|Ni<3>,1|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{3|H<1>,4|C<3>}	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	120.8434	17.332	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	120.8434	17.332	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	119.5583	0.459	3	119.5583	0.211	3	119.5583	0.211	3	120.8434	17.332	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H)2{1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.7472	0.307	4	122.7472	0.094	4	122.7472	0.094	4	122.3646	0.803	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1	122.3646	0.803	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H)2{1|O<2>,2|O<1>,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|O<1>,2|H<1>,4|C<4>}	122.7565	0.091	2	122.7565	0.008	2	122.7565	0.008	2	122.7565	0.008	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.9050	0.000	1	122.9050	0.000	1	122.9050	0.000	1	122.9050	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:C[6,6]-3:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	122.6730	0.000	2	122.6730	0.000	2	122.6730	0.000	2	122.6730	0.000	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	123.6870	0.000	2	123.1154	0.310	5	123.1154	0.310	5	122.9836	0.257	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,3|H<1>,4|C<4>}	122.7343	0.275	3	123.1154	0.310	5	123.1154	0.310	5	122.9836	0.257	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	122.6540	0.000	2	122.6540	0.000	2	122.6540	0.000	2	122.9836	0.257	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.2600	0.340	6	122.0835	0.171	10	121.8688	0.375	14	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.8187	0.406	4	122.0835	0.171	10	121.8688	0.375	14	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.6910	0.991	2	121.6910	0.983	2	121.8688	0.375	14	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(COO)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	120.9730	0.478	2	120.9730	0.228	2	121.8688	0.375	14	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	120.3640	0.000	1	120.3640	0.000	1	120.7665	0.324	2	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	121.1690	0.000	1	121.1690	0.000	1	120.7665	0.324	2	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	121.0113	0.643	3	121.1103	0.315	4	121.1103	0.315	4	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	121.4070	0.000	1	121.1103	0.315	4	121.1103	0.315	4	121.6069	0.500	20	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:2:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	121.2360	0.000	1	121.2360	0.000	1	121.7387	1.032	3	121.7387	1.032	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:2:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	121.0720	0.000	1	121.0720	0.000	1	121.7387	1.032	3	121.7387	1.032	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:2:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.9080	0.000	1	122.9080	0.000	1	121.7387	1.032	3	121.7387	1.032	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	124.0500	0.000	1	124.0500	0.000	1	124.0500	0.000	1	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	121.0255	0.650	2	121.0255	0.422	2	121.6869	0.285	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	122.0565	0.217	2	122.0565	0.047	2	121.6869	0.285	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	121.8200	0.071	2	121.8200	0.005	2	121.6869	0.285	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	121.8455	0.535	2	121.8455	0.287	2	121.6869	0.285	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	121.6800	0.017	2	121.6800	0.000	2	121.6996	0.264	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.7115	0.784	4	121.7115	0.614	4	121.6996	0.264	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	121.6955	0.039	2	121.6955	0.002	2	121.6996	0.264	8	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	120.4160	0.000	1	120.4160	0.000	1	120.4160	0.000	1	121.7532	0.645	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|O<2>,2|O<1>,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>,5|C<4>}	122.6065	0.076	2	122.6065	0.006	2	122.6065	0.006	2	121.7507	2.200	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.0390	0.000	1	120.0390	0.000	1	120.0390	0.000	1	121.7507	2.200	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	116.7378	0.353	4	116.7378	0.124	4	116.6556	0.127	5	116.6556	0.127	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	116.3270	0.000	1	116.3270	0.000	1	116.6556	0.127	5	116.6556	0.127	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:3:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:C-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:4:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.6230	0.375	2	120.6230	0.140	2	120.6230	0.140	2	120.6230	0.140	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](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>}	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:4:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.2570	0.000	1	122.2570	0.000	1	122.2570	0.000	1	122.2570	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:4:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|O<2>,2|O<1>,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|O<1>,6|C<4>}	122.9922	0.324	4	122.9922	0.105	4	122.9922	0.105	4	122.9922	0.105	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	O[6]-3:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6,6](O[6]C[6,6]Li)(C[6]C[6]Li2)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,2|Li<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Li<5>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](O[6]C[6,6]Li)(C[6]C[6]Li2)(C[6,6]C[6]2){2|C<3>,2|H<1>,3|C<4>}	120.0890	0.000	1	120.0890	0.000	1	120.0890	0.000	1	120.0890	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	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>}	119.0070	0.000	1	119.0070	0.000	1	121.6824	4.499	5	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,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|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.5043	0.471	3	121.5043	0.221	3	121.6824	4.499	5	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|Br<1>,1|C<3>,3|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6]){2|Br<1>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	124.8920	0.000	1	124.8920	0.000	1	121.6824	4.499	5	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.8400	0.000	1	121.4900	0.245	2	121.4597	0.152	4	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.1400	0.000	1	121.4900	0.245	2	121.4597	0.152	4	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.1070	0.000	1	121.4295	0.208	2	121.4597	0.152	4	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,1|O<1>,1|O<2>,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|Se<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.7520	0.000	1	121.4295	0.208	2	121.4597	0.152	4	121.5834	2.321	9	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	117.8620	0.000	1	117.8620	0.000	1	118.0647	1.760	3	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|C<4>,3|C<3>,4|H<1>}	118.1660	1.860	2	118.1660	3.458	2	118.0647	1.760	3	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	116.4800	0.000	1	117.0855	0.733	2	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	117.6910	0.000	1	117.0855	0.733	2	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N){2|C<3>,3|C<4>,3|H<1>}	120.7030	0.000	1	120.7030	0.000	1	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	119.5700	0.000	1	119.5700	0.000	1	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	118.8361	1.159	9	118.8361	1.344	9	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	118.2980	1.488	2	118.2980	2.213	2	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	121.5010	0.000	1	120.7591	0.468	12	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,3|C<4>,4|H<1>}	120.9680	0.296	2	120.7591	0.468	12	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	120.4050	0.318	3	120.7591	0.468	12	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	119.7940	0.231	2	120.7591	0.468	12	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	121.2173	0.602	4	120.7591	0.468	12	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	120.5497	0.532	3	120.1297	0.382	6	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	119.7097	0.376	3	120.1297	0.382	6	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	120.0330	0.000	1	120.0330	0.000	1	119.7201	1.841	34	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){2|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{1|C<4>,3|C<3>,4|H<1>}	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	116.6420	0.000	1	116.6420	0.000	1	118.7573	6.155	3	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.1420	0.000	1	118.1420	0.000	1	118.7573	6.155	3	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.4880	0.000	1	121.4880	0.000	1	118.7573	6.155	3	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]Ni)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]Ni){1|C<4>,3|H<1>,4|C<3>}	118.0850	0.126	2	118.0850	0.016	2	118.0850	0.016	2	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	121.1145	0.336	2	121.1145	0.113	2	121.1145	0.113	2	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2{2|H<1>,2|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	119.4900	2.160	46	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	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>}	120.9120	0.000	1	121.3145	0.111	4	121.6483	0.211	8	121.6483	0.211	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	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>}	121.4487	0.242	3	121.3145	0.111	4	121.6483	0.211	8	121.6483	0.211	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	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>}	121.5570	0.000	1	121.5570	0.000	1	121.6483	0.211	8	121.6483	0.211	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	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>}	122.1930	0.000	1	122.1930	0.000	1	121.6483	0.211	8	121.6483	0.211	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	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|H<1>,4|C<4>}	122.0290	0.000	1	122.0290	0.000	1	121.6483	0.211	8	121.6483	0.211	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,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>}	122.1490	0.000	1	122.1490	0.000	1	121.6483	0.211	8	121.6483	0.211	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,2|C<4>,6|H<1>}	121.1980	0.000	1	121.5665	0.272	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,3|C<4>,5|H<1>}	121.9350	0.000	1	121.5665	0.272	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg){2|C<3>,2|C<4>,6|H<1>}	120.4350	0.420	2	120.4350	0.176	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,6|H<1>}	121.7000	0.000	1	121.7000	0.000	1	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Li<4>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	121.9045	0.040	2	121.9045	0.002	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	119.2725	0.504	2	119.2725	0.254	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	117.2410	0.000	1	117.2410	0.000	1	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir){1|C<3>,2|C<4>,5|H<1>}	123.2260	0.000	1	123.2260	0.000	1	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	120.3460	0.000	1	121.1230	0.453	3	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	121.5115	0.037	2	121.1230	0.453	3	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,1|C<4>,6|H<1>}	120.3640	0.000	1	120.3760	0.000	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,2|C<4>,5|H<1>}	120.3880	0.000	1	120.3760	0.000	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	122.0680	0.000	1	122.0680	0.000	1	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	121.8130	0.180	2	121.8130	0.032	2	120.9652	1.854	19	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	120.3065	0.636	2	120.3065	0.404	2	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	122.0360	0.000	1	122.0360	0.000	1	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	121.1480	0.000	1	121.1480	0.000	1	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|H<1>}	121.2060	0.000	1	121.2060	0.000	1	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Li<4>,1|C<3>,1|C<4>,5|H<1>}	121.2395	0.295	2	121.2395	0.087	2	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	124.3100	0.559	2	124.3100	0.312	2	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	123.0700	0.000	1	123.0700	0.000	1	121.9172	2.311	10	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	121.3233	2.099	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|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>}	121.7060	0.000	1	121.7060	0.000	1	121.7060	0.000	1	121.4350	0.059	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	121.4350	0.059	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	121.4585	0.013	2	121.4585	0.000	2	121.4585	0.000	2	121.4350	0.059	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.7230	0.511	2	118.7230	0.261	2	118.7230	0.261	2	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	122.9850	0.000	1	122.9850	0.000	1	123.3690	0.295	2	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){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])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	123.7530	0.000	1	123.7530	0.000	1	123.3690	0.295	2	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.7930	0.000	1	123.7930	0.000	1	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	124.0395	0.701	2	123.9372	0.229	13	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.9916	0.427	10	123.9372	0.229	13	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.1890	0.000	1	123.9372	0.229	13	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	123.6090	0.721	2	123.6090	0.520	2	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	123.6595	0.535	2	123.5127	0.094	6	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	123.4393	0.198	4	123.5127	0.094	6	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	122.9300	0.000	1	122.9300	0.000	1	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	124.2440	0.000	1	124.2440	0.000	1	123.7685	0.238	24	123.3796	1.964	28	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	123.6167	0.324	4	123.6167	0.105	4	123.7404	0.155	5	123.7404	0.155	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	124.2350	0.000	1	124.2350	0.000	1	123.7404	0.155	5	123.7404	0.155	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	119.3430	0.000	1	118.8300	0.884	4	118.8300	0.884	4	118.8300	0.884	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	118.6590	1.073	3	118.8300	0.884	4	118.8300	0.884	4	118.8300	0.884	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	123.6700	0.000	1	123.6700	0.000	1	123.4285	0.117	2	123.4285	0.117	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	123.1870	0.000	1	123.1870	0.000	1	123.4285	0.117	2	123.4285	0.117	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	123.4460	0.000	1	123.4460	0.000	1	124.0315	0.686	2	124.0315	0.686	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	124.6170	0.000	1	124.6170	0.000	1	124.0315	0.686	2	124.0315	0.686	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	121.7795	0.439	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	121.7795	0.439	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	122.6510	0.000	1	122.2635	0.300	2	122.2635	0.300	2	121.7795	0.439	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	121.8760	0.000	1	122.2635	0.300	2	122.2635	0.300	2	121.7795	0.439	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:3:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.6410	0.000	1	123.6070	0.002	2	123.6070	0.002	2	123.6070	0.002	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:3:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.5730	0.000	1	123.6070	0.002	2	123.6070	0.002	2	123.6070	0.002	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:3:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,4|C<4>,5|H<1>}	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	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>}	121.4830	1.382	3	121.4830	1.910	3	121.3635	1.331	4	121.8608	1.396	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	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>}	121.0050	0.000	1	121.0050	0.000	1	121.3635	1.331	4	121.8608	1.396	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<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>,2|C<4>,3|C<3>,4|H<1>}	122.8555	0.144	2	122.8555	0.021	2	122.8555	0.021	2	121.8608	1.396	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	113.7680	0.000	1	113.7680	0.000	1	115.6630	7.182	2	115.6630	7.182	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	117.5580	0.000	1	117.5580	0.000	1	115.6630	7.182	2	115.6630	7.182	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	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>}	121.7880	0.000	1	121.7880	0.000	1	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	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>}	122.3715	0.043	2	122.3715	0.002	2	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	122.2350	0.000	1	122.2350	0.000	1	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	122.4880	0.000	1	122.4880	0.000	1	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|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>}	122.7350	0.000	1	122.7350	0.000	1	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	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>}	122.2400	0.000	1	122.2400	0.000	1	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|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>}	121.9526	0.634	5	121.9526	0.401	5	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|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>}	122.6080	0.164	4	122.6080	0.027	4	122.2765	0.211	16	122.2765	0.211	16	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	119.3620	0.000	1	119.3620	0.000	1	121.0080	2.082	3	121.0080	2.082	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	121.6070	0.000	1	121.6070	0.000	1	121.0080	2.082	3	121.0080	2.082	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	122.0550	0.000	1	122.0550	0.000	1	121.0080	2.082	3	121.0080	2.082	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|C<4>,1|N<4>,2|C<3>,3|H<1>}	124.3650	0.417	2	124.3650	0.174	2	124.3650	0.174	2	124.3650	0.174	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:4:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|N<3>,2|O<2>}	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>}	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:N-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	120.9330	0.000	1	120.9330	0.000	1	120.9330	0.000	1	120.9330	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:4:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,1|O<2>,3|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>}	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,4|H<1>,7|C<4>}	124.5825	1.313	2	124.5825	1.724	2	124.5825	1.724	2	124.5825	1.724	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	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>}	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6]){1|O<1>,4|C<4>,4|H<1>}	121.2240	0.000	1	121.2240	0.000	1	121.2240	0.000	1	121.5090	0.242	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	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>}	121.4185	0.419	6	121.5497	0.267	7	121.5497	0.267	7	121.5090	0.242	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,3|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|O<1>,1|O<2>,2|C<4>,5|H<1>}	122.3370	0.000	1	121.5497	0.267	7	121.5497	0.267	7	121.5090	0.242	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	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>}	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2{2|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	123.4570	0.000	1	123.4570	0.000	1	123.4570	0.000	1	123.4570	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	124.0275	0.155	2	124.0275	0.024	2	124.3767	0.378	3	124.3767	0.378	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	125.0750	0.000	1	125.0750	0.000	1	124.3767	0.378	3	124.3767	0.378	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:2:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:2:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2){2|C<3>,3|C<4>,4|O<2>,6|H<1>}	121.3080	0.013	6	121.3080	0.000	6	121.3080	0.000	6	121.3080	0.000	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:2:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:2:4:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:2:4:4:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-2:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6])	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,5|H<1>}	122.4450	0.083	2	122.4450	0.007	2	122.4450	0.007	2	122.4450	0.007	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	121.4535	7.028	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	121.4535	7.028	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,9|H<1>}	124.3460	0.000	1	124.3460	0.000	1	124.3460	0.000	1	124.3460	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	122.5915	0.510	2	122.5915	0.260	2	122.5915	0.260	2	122.5915	0.260	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.8045	0.104	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	120.8045	0.104	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:3:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.5400	0.000	1	122.5400	0.000	1	122.5400	0.000	1	124.0400	4.500	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:3:1:	3:3:2:	C[6,6]-3:C[6]-4:S[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO){1|C<2>,5|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	125.5400	0.000	1	125.5400	0.000	1	125.5400	0.000	1	124.0400	4.500	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	121.8670	0.471	2	121.8917	0.113	3	121.8917	0.113	3	121.8917	0.113	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	121.9410	0.000	1	121.8917	0.113	3	121.8917	0.113	3	121.8917	0.113	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:4:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<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>}	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:4:4:	3:4:3:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	126.2080	0.000	1	126.2080	0.000	1	126.2080	0.000	1	126.2080	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:3:4:4:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	123.6020	0.000	1	123.6020	0.000	1	123.6020	0.000	1	123.6020	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](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>}	122.3690	0.000	1	122.3690	0.000	1	121.7115	0.865	2	121.7115	0.865	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,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>}	121.0540	0.000	1	121.0540	0.000	1	121.7115	0.865	2	121.7115	0.865	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-2:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6])	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,5|H<1>}	121.8715	0.808	2	121.8715	0.653	2	121.8715	0.653	2	120.8983	2.807	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](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>}	122.0620	0.000	1	122.0620	0.000	1	120.4117	3.513	4	120.8983	2.807	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|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>}	122.0060	0.000	1	122.0060	0.000	1	120.4117	3.513	4	120.8983	2.807	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](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>}	118.8620	0.000	1	118.8620	0.000	1	120.4117	3.513	4	120.8983	2.807	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.7170	0.000	1	118.7170	0.000	1	120.4117	3.513	4	120.8983	2.807	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C){2|C<4>,8|H<1>}	122.1460	0.044	2	122.1460	0.002	2	122.1460	0.002	2	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	119.6350	0.823	2	119.6350	0.677	2	120.7256	0.869	7	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	121.6955	0.312	2	121.6955	0.097	2	120.7256	0.869	7	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	120.8060	0.285	3	120.8060	0.081	3	120.7256	0.869	7	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	120.8132	0.589	6	120.6026	0.424	8	120.6026	0.424	8	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){3|C<4>,4|H<1>,5|C<3>}	119.9710	0.414	2	120.6026	0.424	8	120.6026	0.424	8	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	120.7955	0.742	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	122.6877	0.818	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	122.4630	0.264	2	122.4630	0.070	2	122.4630	0.070	2	122.6877	0.818	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	123.0335	1.312	2	123.0335	1.721	2	123.0335	1.721	2	122.6877	0.818	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	124.0910	0.000	1	124.0910	0.000	1	122.5893	1.780	3	122.6877	0.818	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	122.1370	0.000	1	122.1370	0.000	1	122.5893	1.780	3	122.6877	0.818	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	121.5400	0.000	1	121.5400	0.000	1	122.5893	1.780	3	122.6877	0.818	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH){1|Br<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	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>}	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,9|H<1>}	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	121.5880	0.000	1	122.1720	0.682	2	122.2652	0.793	5	122.2652	0.793	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	122.7560	0.000	1	122.1720	0.682	2	122.2652	0.793	5	122.2652	0.793	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	121.1370	0.000	1	121.1370	0.000	1	122.2652	0.793	5	122.2652	0.793	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	123.3330	0.000	1	123.3330	0.000	1	122.2652	0.793	5	122.2652	0.793	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	122.5120	0.000	1	122.5120	0.000	1	122.2652	0.793	5	122.2652	0.793	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2	C[6,6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](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>}	121.5610	0.000	1	121.5610	0.000	1	121.3245	0.112	2	121.4428	0.057	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|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>}	121.0880	0.000	1	121.0880	0.000	1	121.3245	0.112	2	121.4428	0.057	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](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>}	121.5610	0.057	2	121.5610	0.003	2	121.5610	0.003	2	121.4428	0.057	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	122.5550	0.000	1	122.5550	0.000	1	122.8980	0.235	2	122.8980	0.235	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	123.2410	0.000	1	123.2410	0.000	1	122.8980	0.235	2	122.8980	0.235	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	125.1830	0.000	1	125.1830	0.000	1	125.1830	0.000	1	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH){6|H<1>,7|C<4>}	121.9140	0.000	1	121.9140	0.000	1	122.8070	1.595	2	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	123.7000	0.000	1	123.7000	0.000	1	122.8070	1.595	2	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	121.6350	0.307	2	121.6350	0.094	2	122.9793	1.188	9	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	123.2430	0.000	1	123.2430	0.000	1	122.9793	1.188	9	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	122.4940	0.000	1	122.4940	0.000	1	122.9793	1.188	9	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	122.6030	0.000	1	122.6030	0.000	1	122.9793	1.188	9	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	123.7035	1.190	2	123.7035	1.416	2	122.9793	1.188	9	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	123.8985	1.094	2	123.8985	1.197	2	122.9793	1.188	9	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	122.4125	0.260	2	122.4125	0.067	2	122.8483	0.277	4	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	123.2840	0.071	2	123.2840	0.005	2	122.8483	0.277	4	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.9866	1.038	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2){2|C<3>,3|C<4>,4|O<2>,6|H<1>}	124.7895	0.052	6	124.7895	0.003	6	124.7895	0.003	6	124.5790	0.312	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	123.3160	0.000	1	123.3160	0.000	1	123.3160	0.000	1	124.5790	0.312	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.1430	0.000	1	122.2277	0.019	3	122.2277	0.019	3	122.2277	0.019	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	122.1520	0.000	1	122.2277	0.019	3	122.2277	0.019	3	122.2277	0.019	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	122.3880	0.000	1	122.2277	0.019	3	122.2277	0.019	3	122.2277	0.019	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	123.0870	0.000	1	123.0870	0.000	1	123.0870	0.000	1	121.6200	1.132	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	121.2260	0.000	1	121.2115	0.000	2	120.9647	0.152	4	121.6200	1.132	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	121.1970	0.000	1	121.2115	0.000	2	120.9647	0.152	4	121.6200	1.132	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.9647	0.152	4	121.6200	1.132	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	121.0440	0.000	1	121.0440	0.000	1	120.9647	0.152	4	121.6200	1.132	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	121.6200	1.132	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:3:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	124.5200	0.000	1	124.5200	0.000	1	124.5200	0.000	1	124.5200	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:3:3:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:3:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	122.0500	0.000	1	122.0500	0.000	1	121.4460	0.488	3	121.4460	0.488	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	121.6070	0.000	1	121.6070	0.000	1	121.4460	0.488	3	121.4460	0.488	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	120.6810	0.000	1	120.6810	0.000	1	121.4460	0.488	3	121.4460	0.488	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH){1|Br<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](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>}	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	123.0770	0.000	1	123.0770	0.000	1	123.2870	0.088	2	123.2870	0.088	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	123.4970	0.000	1	123.4970	0.000	1	123.2870	0.088	2	123.2870	0.088	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	123.2410	0.000	1	123.2410	0.000	1	123.2775	0.003	2	123.6570	0.433	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH){6|H<1>,7|C<4>}	123.3140	0.000	1	123.3140	0.000	1	123.2775	0.003	2	123.6570	0.433	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	124.4160	0.000	1	124.4160	0.000	1	124.4160	0.000	1	123.6570	0.433	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	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>}	122.2715	0.268	2	122.2715	0.072	2	122.2715	0.072	2	122.2715	0.072	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	122.1330	0.000	1	122.7653	0.393	3	122.7653	0.393	3	122.7653	0.393	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.7770	0.000	1	122.7653	0.393	3	122.7653	0.393	3	122.7653	0.393	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	123.3860	0.000	1	122.7653	0.393	3	122.7653	0.393	3	122.7653	0.393	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	122.1350	0.000	1	122.1350	0.000	1	122.1350	0.000	1	122.5655	1.920	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	122.5655	1.920	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	122.5655	1.920	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	122.5655	1.920	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	123.8300	0.000	1	123.8300	0.000	1	123.8300	0.000	1	123.8300	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	3:4:4:	4:3:3:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	122.8885	0.810	2	122.8885	0.656	2	122.8885	0.656	2	122.8885	0.656	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:2:	3:3:4:2:	3:3:4:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.0000	0.000	1	126.0000	0.000	1	126.0000	0.000	1	126.0000	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:2:	3:3:4:4:	3:3:3:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	126.0610	0.000	1	126.0610	0.000	1	126.0610	0.000	1	126.0610	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:2:	4:3:1:1:	3:4:4:	C[6]-4:C[6,6]-3:O[6]-2:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6])	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH)	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>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	126.7590	0.132	2	126.7590	0.017	2	126.7590	0.017	2	126.7590	0.017	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:2:	4:3:2:1:	3:4:3:	C[6]-4:C[6,6]-3:O[6]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	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>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	125.1620	0.000	1	125.1620	0.000	1	125.1620	0.000	1	125.1620	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C[6,6]-3:	C[4,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.7965	0.120	2	124.7965	0.014	2	124.7965	0.014	2	124.7965	0.014	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.7130	0.000	1	122.7130	0.000	1	122.8185	0.402	4	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.1480	0.000	1	122.8537	0.596	3	122.8185	0.402	4	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	123.2065	0.667	2	122.8537	0.596	3	122.8185	0.402	4	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.7210	0.000	1	121.7210	0.000	1	121.7210	0.000	1	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	121.8890	0.000	1	121.8890	0.000	1	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.4300	0.843	2	122.5223	0.381	3	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.7070	0.000	1	122.5223	0.381	3	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.4250	0.000	1	122.4215	0.337	8	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.8480	0.000	1	122.4215	0.337	8	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.0930	0.000	1	122.4215	0.337	8	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.6012	0.664	5	122.4215	0.337	8	122.4023	0.312	12	122.4339	0.350	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|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<3>,1|O<1>,4|C<3>}	121.8340	0.000	1	121.8143	0.006	3	121.8143	0.006	3	121.3510	1.917	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<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|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.8770	0.000	1	121.8143	0.006	3	121.8143	0.006	3	121.3510	1.917	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<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|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.7320	0.000	1	121.8143	0.006	3	121.8143	0.006	3	121.3510	1.917	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a]){1|H<1>,1|O<1>,5|C<3>}	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	121.3510	1.917	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	121.3510	1.917	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	121.2960	0.722	3	121.2960	0.521	3	121.2960	0.521	3	121.2960	0.521	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	123.1790	0.000	2	123.1790	0.000	2	123.7786	0.470	7	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	123.8260	0.000	1	124.0757	0.583	4	123.7786	0.470	7	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	123.1410	0.000	1	124.0757	0.583	4	123.7786	0.470	7	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	124.4330	0.000	1	124.0757	0.583	4	123.7786	0.470	7	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	124.9030	0.000	1	124.0757	0.583	4	123.7786	0.470	7	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	123.7890	0.000	1	123.7890	0.000	1	123.7786	0.470	7	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	123.0907	0.569	3	123.4433	0.713	4	123.4433	0.713	4	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	124.5010	0.000	1	123.4433	0.713	4	123.4433	0.713	4	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[5a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.4190	0.086	2	122.4190	0.007	2	122.4190	0.007	2	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	120.8440	0.584	4	121.3723	0.701	20	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.4940	0.808	6	121.3723	0.701	20	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.5106	0.921	10	121.3723	0.701	20	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	123.1305	0.128	2	121.7189	0.514	34	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.6841	0.684	27	121.7189	0.514	34	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.3420	0.134	5	121.7189	0.514	34	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	119.9885	0.549	2	119.9885	0.302	2	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.5340	0.167	2	122.5340	0.028	2	121.5678	0.685	58	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	121.1455	0.325	2	120.5740	0.472	4	121.9445	0.863	24	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	120.0025	0.060	2	120.5740	0.472	4	121.9445	0.863	24	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	122.4599	0.538	15	122.3177	0.316	19	121.9445	0.863	24	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.7845	0.253	4	122.3177	0.316	19	121.9445	0.863	24	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	120.3360	0.000	1	120.3360	0.000	1	121.9445	0.863	24	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	123.5660	0.000	1	122.7163	0.784	3	122.7163	0.784	3	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	122.2915	0.697	2	122.7163	0.784	3	122.7163	0.784	3	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.1890	0.000	1	122.1890	0.000	1	121.8149	0.480	9	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.1654	0.477	5	122.1654	0.227	5	121.8149	0.480	9	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	120.4390	0.000	1	120.4390	0.000	1	121.8149	0.480	9	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.4395	0.069	2	121.4395	0.005	2	121.8149	0.480	9	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	122.3460	0.000	1	122.3460	0.000	1	122.8415	0.491	2	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	123.3370	0.000	1	123.3370	0.000	1	122.8415	0.491	2	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	124.1070	0.000	1	124.1070	0.000	1	124.1070	0.000	1	121.9904	1.120	111	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.2053	0.173	4	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.0220	0.147	2	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	123.0945	0.262	2	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	123.0770	0.035	2	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.4530	0.385	2	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.5280	0.399	23	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.2655	0.405	2	122.5078	0.175	37	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.2972	0.416	8	122.2972	0.173	8	122.4704	0.177	45	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.5980	0.000	1	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.8085	0.695	2	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.1590	0.000	1	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.8305	0.397	6	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.0684	0.507	7	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|H<1>,3|C<3>}	123.1890	0.000	1	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.8847	0.226	3	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	121.5575	0.013	2	122.4693	0.357	23	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.3910	0.000	1	122.6722	0.085	5	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.9610	0.000	1	122.6722	0.085	5	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.6697	0.297	3	122.6722	0.085	5	122.5055	0.310	28	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	123.4240	0.000	1	122.5855	1.406	2	122.5855	1.406	2	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	121.7470	0.000	1	122.5855	1.406	2	122.5855	1.406	2	122.4866	0.238	75	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.2130	0.000	1	120.8550	0.256	2	120.8550	0.256	2	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.4970	0.000	1	120.8550	0.256	2	120.8550	0.256	2	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.2080	0.000	1	122.2080	0.000	1	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	121.8485	0.292	2	120.9586	0.535	17	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.0470	0.512	2	120.9586	0.535	17	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	120.9701	0.470	7	120.9586	0.535	17	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.5990	0.969	2	120.9586	0.535	17	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.6290	1.103	4	120.9586	0.535	17	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.1000	0.000	1	119.1000	0.000	1	120.9265	0.753	19	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	120.8953	0.663	23	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.1020	0.000	1	123.1020	0.000	1	123.1020	0.000	1	123.3397	0.060	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	123.4585	0.186	2	123.4585	0.035	2	123.4585	0.035	2	123.3397	0.060	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|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>}	121.6610	0.000	1	121.6610	0.000	1	121.6594	0.475	7	121.6594	0.475	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|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>}	121.7730	1.008	2	121.7183	0.517	3	121.6594	0.475	7	121.6594	0.475	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|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>}	121.6090	0.000	1	121.7183	0.517	3	121.6594	0.475	7	121.6594	0.475	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	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>}	121.6000	0.947	3	121.6000	0.896	3	121.6594	0.475	7	121.6594	0.475	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	121.9020	0.000	1	121.1647	0.697	3	121.1647	0.697	3	121.1582	0.465	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	120.7960	0.761	2	121.1647	0.697	3	121.1647	0.697	3	121.1582	0.465	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	121.1582	0.465	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	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>}	121.8180	0.000	1	120.9715	1.433	2	121.6994	0.627	10	121.6994	0.627	10	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	120.1250	0.000	1	120.9715	1.433	2	121.6994	0.627	10	121.6994	0.627	10	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	121.1420	0.285	3	121.6950	0.411	6	121.6994	0.627	10	121.6994	0.627	10	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|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>}	122.2480	0.170	3	121.6950	0.411	6	121.6994	0.627	10	121.6994	0.627	10	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	122.4570	0.000	1	122.4405	0.001	2	121.6994	0.627	10	121.6994	0.627	10	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,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]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.4240	0.000	1	122.4405	0.001	2	121.6994	0.627	10	121.6994	0.627	10	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.6010	0.000	1	120.6010	0.000	1	120.6010	0.000	1	120.6332	0.345	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.7115	0.735	4	120.7115	0.541	4	120.6396	0.431	5	120.6332	0.345	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:4:1:	3:4:3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.3520	0.000	1	120.3520	0.000	1	120.6396	0.431	5	120.6332	0.345	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	3:4:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	122.3865	0.122	2	122.3865	0.015	2	122.3865	0.015	2	122.3865	0.015	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	119.0410	6.937	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	117.5455	0.045	2	117.5455	0.002	2	117.8727	0.151	4	119.0410	6.937	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.2000	0.146	2	118.2000	0.021	2	117.8727	0.151	4	119.0410	6.937	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:2:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	115.2670	1.116	2	115.2670	1.245	2	114.8937	0.541	8	114.8937	0.541	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:2:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	114.7693	0.659	6	114.7693	0.435	6	114.8937	0.541	8	114.8937	0.541	8	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:2:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	124.2210	0.000	1	124.2210	0.000	1	124.2210	0.000	1	124.2210	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6])	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	124.8890	0.000	1	124.8520	0.003	2	124.8520	0.003	2	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	124.8150	0.000	1	124.8520	0.003	2	124.8520	0.003	2	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	122.0530	0.000	1	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|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>}	122.0340	0.000	1	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,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>}	122.4740	0.000	1	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,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>}	122.3010	0.000	1	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,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|O<1>,1|O<2>,3|C<4>,3|H<1>}	122.4510	0.000	1	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,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|O<1>,1|O<2>,3|C<4>,3|H<1>}	122.5410	0.099	3	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	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>}	123.4610	0.000	1	122.4886	0.176	9	122.4886	0.176	9	122.9183	1.055	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:2:4:4:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	C[6](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[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|C<3>,2|N<3>,5|H<1>}	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	3:4:4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	118.4290	1.559	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	3:4:4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2{1|N<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	118.4290	1.559	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	122.2799	1.779	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	123.1315	0.049	2	123.1315	0.002	2	122.5615	0.198	12	122.2799	1.779	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	122.5695	0.581	2	122.4475	0.156	10	122.5615	0.198	12	122.2799	1.779	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	122.4170	0.383	8	122.4475	0.156	10	122.5615	0.198	12	122.2799	1.779	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	122.2799	1.779	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:2:1:	3:4:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	116.3990	0.000	1	116.3990	0.000	1	116.3990	0.000	1	116.3990	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:2:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:O-2:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	123.0370	1.008	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|C<3>,2|N<3>,5|H<1>}	123.7470	0.000	1	123.7470	0.000	1	123.7470	0.000	1	123.0370	1.008	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:3:4:2:	3:4:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.7835	0.421	2	121.7835	0.177	2	121.7835	0.177	2	121.7835	0.177	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:2:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	121.3910	0.000	1	121.3910	0.000	1	120.8850	0.512	2	120.8850	0.512	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:2:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	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>}	120.3790	0.000	1	120.3790	0.000	1	120.8850	0.512	2	120.8850	0.512	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.2510	0.000	1	120.2510	0.000	1	120.9340	0.933	2	120.9340	0.933	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|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>,2|C<4>,5|H<1>}	121.6170	0.000	1	121.6170	0.000	1	120.9340	0.933	2	120.9340	0.933	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]){3|C<4>,4|C<3>,5|H<1>}	121.0710	0.000	1	121.0710	0.000	1	120.9112	0.169	4	120.9216	0.127	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<2>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	121.1390	0.000	2	121.1390	0.000	2	120.9112	0.169	4	120.9216	0.127	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	120.2960	0.000	1	120.2960	0.000	1	120.9112	0.169	4	120.9216	0.127	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.9630	0.000	1	120.9630	0.000	1	120.9630	0.000	1	120.9216	0.127	5	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,6|H<1>}	121.1890	0.000	1	121.1890	0.000	1	121.1890	0.000	1	121.6208	0.100	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	121.8130	0.195	2	121.8130	0.038	2	121.8130	0.038	2	121.6208	0.100	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	121.6208	0.100	4	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:2:	C[3,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|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>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	121.4280	2.719	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,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|C<3>,3|C<4>,6|H<1>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	121.4280	2.719	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	123.2300	0.774	2	123.2300	0.598	2	121.7947	6.480	3	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	118.9240	0.000	1	118.9240	0.000	1	121.7947	6.480	3	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	120.0545	0.396	4	120.0545	0.157	4	119.7541	0.874	7	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	119.3350	0.000	1	119.3350	0.000	1	119.7541	0.874	7	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O){4|C<4>,4|H<1>}	117.9610	0.000	1	117.9610	0.000	1	119.7541	0.874	7	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	120.7650	0.000	1	120.7650	0.000	1	119.7541	0.874	7	120.4703	2.814	11	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	121.8840	0.000	1	121.8840	0.000	1	122.7372	0.574	6	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	122.9920	0.000	1	122.9920	0.000	1	122.7372	0.574	6	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.7320	0.000	1	122.6357	0.616	3	122.7372	0.574	6	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	123.0875	0.087	2	122.6357	0.616	3	122.7372	0.574	6	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	123.6400	0.000	1	123.6400	0.000	1	122.7372	0.574	6	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	122.0540	0.000	1	122.0540	0.000	1	121.5353	2.077	8	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	120.6120	0.000	1	120.6120	0.000	1	121.5353	2.077	8	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	119.8100	0.966	2	119.8100	0.933	2	121.5353	2.077	8	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	121.6320	0.000	1	121.6320	0.000	1	121.5353	2.077	8	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	121.7470	0.000	1	121.7470	0.000	1	121.5353	2.077	8	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	123.3085	0.435	2	123.3085	0.189	2	121.5353	2.077	8	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	124.2330	0.000	1	124.2330	0.000	1	122.9603	1.234	3	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	122.3240	0.197	2	122.3240	0.039	2	122.9603	1.234	3	122.1451	1.659	18	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	121.8514	3.596	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2{3|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	121.8514	3.596	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	123.7720	0.000	1	123.7720	0.000	1	123.7720	0.000	1	121.8514	3.596	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	122.6870	0.840	2	122.6870	0.706	2	122.8410	0.424	3	121.8514	3.596	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	123.1490	0.000	1	123.1490	0.000	1	122.8410	0.424	3	121.8514	3.596	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	121.8514	3.596	7	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	123.4305	0.448	11	123.4305	0.201	11	123.0935	0.844	13	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	121.2405	0.077	2	121.2405	0.006	2	123.0935	0.844	13	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	121.6000	0.666	11	121.6000	0.444	11	121.8472	0.735	13	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	123.2070	0.078	2	123.2070	0.006	2	121.8472	0.735	13	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	121.9860	0.000	1	121.9860	0.000	1	122.1103	0.013	3	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]P[4,6]AlSi)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]P[4,6]AlSi)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]P[4,6]AlSi)(C[6,6]C[6]2)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|P<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|Si<4>,1|P<3>,2|C<4>,2|H<1>}	C[6,6](C[6]P[4,6]AlSi)(C[6,6]C[6]2)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|P<3>,4|H<1>}	122.1725	0.047	2	122.1725	0.002	2	122.1103	0.013	3	122.3817	1.094	30	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	4:4:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	3:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	121.6490	0.079	2	121.6490	0.006	2	121.6490	0.006	2	121.6490	0.006	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	123.1190	0.000	1	123.1190	0.000	1	123.1190	0.000	1	123.1190	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	122.8290	0.000	1	122.8545	0.001	2	122.8545	0.001	2	122.7370	0.042	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	122.8800	0.000	1	122.8545	0.001	2	122.8545	0.001	2	122.7370	0.042	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	122.5020	0.000	1	122.5020	0.000	1	122.5020	0.000	1	122.7370	0.042	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	121.3920	0.000	1	121.3920	0.000	1	121.2930	0.306	3	121.2930	0.306	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	120.6970	0.000	1	120.6970	0.000	1	121.2930	0.306	3	121.2930	0.306	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:2:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.2930	0.306	3	121.2930	0.306	3	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:3:1:	4:3:2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6]){2|C<3>,4|H<1>,6|C<4>}	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:4:3:	3:3:4:	C[4,4,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC)	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC){1|C<2>,1|C<3>,2|H<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	122.2310	0.000	1	122.2310	0.000	1	122.2310	0.000	1	122.2310	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,5|H<1>}	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	120.0035	0.039	2	120.0035	0.002	2	120.0035	0.002	2	120.0035	0.002	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	121.2240	0.470	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	121.2240	0.470	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	118.6110	0.255	2	118.6110	0.065	2	118.8895	0.197	4	120.9086	3.369	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	119.4970	0.000	1	119.4970	0.000	1	118.8895	0.197	4	120.9086	3.369	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	118.8390	0.000	1	118.8390	0.000	1	118.8895	0.197	4	120.9086	3.369	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	123.3080	0.232	2	123.3080	0.054	2	121.7163	2.264	10	120.9086	3.369	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	121.3184	1.414	8	121.3184	1.998	8	121.7163	2.264	10	120.9086	3.369	14	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:3:1:	3:2:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](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>}	121.6550	0.000	1	121.6550	0.000	1	121.6550	0.000	1	121.5330	0.030	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:3:1:	3:2:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6,6](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>}	121.4110	0.000	1	121.4110	0.000	1	121.4110	0.000	1	121.5330	0.030	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:3:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	122.8975	0.013	2	122.8975	0.000	2	122.8975	0.000	2	122.8975	0.000	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	4:3:3:1:	4:4:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	123.8450	0.000	1	123.8450	0.000	1	123.8450	0.000	1	123.8450	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:3:4:1:	3:4:2:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	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>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:	C[5,3x6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2){2|C<3>,3|C<4>,4|O<2>,6|H<1>}	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2{1|N<3>,6|C<4>}	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	119.5665	0.177	6	119.5665	0.031	6	119.5665	0.031	6	119.5665	0.031	6	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:2:1:	3:3:4:	C[6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	115.6510	0.414	2	115.6510	0.172	2	115.6510	0.172	2	115.6510	0.172	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	3:4:4:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[3,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-4:C[6,6]-3:	C[3,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	125.0890	0.725	2	125.0890	0.526	2	125.0890	0.526	2	125.0890	0.526	2	122.3625	5.792	1376	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:4:	3:4:3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:C[6]-3:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[6,6]N[5,6])(H)	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH)	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[6,6]N[5,6])(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H){1|O<2>,4|H<1>,8|C<4>}	126.9680	0.000	1	126.9680	0.000	1	126.9680	0.000	1	126.9680	0.000	1	126.9680	0.000	1	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	3:4:1:	4:4:3:1:	4:3:1:	C[6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[3x6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H){2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[3x6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	126.5660	0.000	1	126.5660	0.000	1	126.9020	0.226	2	126.9020	0.226	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	3:4:1:	4:4:3:1:	4:3:1:	C[6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[3x6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H){2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[3x6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	127.2380	0.000	1	127.2380	0.000	1	126.9020	0.226	2	126.9020	0.226	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:3:4:3:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6a]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6a]C[6,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	120.0360	48.570	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	120.0360	48.570	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	124.7510	0.000	1	125.2985	0.600	2	125.2985	0.600	2	125.2985	0.600	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	125.8460	0.000	1	125.2985	0.600	2	125.2985	0.600	2	125.2985	0.600	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|O<2>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	124.2470	0.000	1	124.3820	0.036	2	124.3820	0.036	2	124.0173	0.417	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|O<2>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	124.5170	0.000	1	124.3820	0.036	2	124.3820	0.036	2	124.0173	0.417	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	123.2880	0.000	1	123.2880	0.000	1	123.2880	0.000	1	124.0173	0.417	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:4:	C[3x6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	125.5760	0.000	1	125.7953	0.089	3	125.7953	0.089	3	125.7953	0.089	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:4:	C[3x6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	125.9050	0.324	2	125.7953	0.089	3	125.7953	0.089	3	125.7953	0.089	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6,6a]H)(H)	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	120.4165	0.424	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[4x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl)	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H){1|Cl<1>,1|O<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl){1|H<1>,2|C<4>,2|O<2>}	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	120.4165	0.424	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:2:3:3:	4:3:1:	C[3x6]-4:C[6]-3:Br-1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H)	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br){2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.3620	0.282	3	125.3620	0.079	3	125.3620	0.079	3	125.3620	0.079	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|F<1>,1|H<1>,3|C<4>}	124.0690	0.000	1	124.6205	0.608	2	124.6205	0.608	2	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	125.1720	0.000	1	124.6205	0.608	2	124.6205	0.608	2	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:Ge[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[5,3x6]Ge[3x6]H)(C[6]C[6]H)(H)	C[3x6](C[5,3x6]Ge[5,3x6]C[5,6]C)(Ge[3x6]C[6,6]2C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H)	C[6](C[3x6]C[5,3x6]Ge[3x6]H)(C[6]C[6]H)(H){1|Ge<4>,2|C<4>,4|C<3>}	C[3x6](C[5,3x6]Ge[5,3x6]C[5,6]C)(Ge[3x6]C[6,6]2C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>}	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	120.3810	0.622	2	120.3810	0.387	2	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	119.4140	0.204	2	119.1103	0.166	4	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	118.8065	0.296	2	119.1103	0.166	4	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	117.7305	2.242	2	117.7305	5.028	2	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	119.8440	0.000	1	119.8440	0.000	1	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	119.3780	0.000	1	119.3780	0.000	1	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	117.4010	0.000	1	117.4010	0.000	1	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	117.9340	0.000	1	117.9340	0.000	1	118.9351	1.591	12	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl){1|H<1>,2|C<4>,2|O<2>}	116.6070	0.000	1	116.6070	0.000	1	116.6070	0.000	1	119.8291	6.871	16	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	121.9240	0.000	1	121.9240	0.000	1	122.0527	0.550	10	122.1652	0.635	11	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	122.1715	0.770	8	122.0670	0.617	9	122.0527	0.550	10	122.1652	0.635	11	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	121.2310	0.000	1	122.0670	0.617	9	122.0527	0.550	10	122.1652	0.635	11	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]O)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC){1|O<2>,2|C<4>,2|H<1>}	123.2900	0.000	1	123.2900	0.000	1	123.2900	0.000	1	122.1652	0.635	11	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	125.7980	0.293	2	125.7980	0.086	2	125.7980	0.086	2	124.6353	4.098	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O){1|H<1>,1|I<1>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	124.6353	4.098	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	3:4:2:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC){2|C<4>,3|H<1>}	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[4,6]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[3x6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[4,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[3x6]H)(H){3|H<1>,4|C<4>}	125.9040	0.000	1	125.9040	0.000	1	125.9040	0.000	1	120.2653	3.883	18	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	120.6702	1.583	9	119.9336	2.021	17	119.9336	2.021	17	120.2653	3.883	18	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	119.1049	0.522	8	119.9336	2.021	17	119.9336	2.021	17	120.2653	3.883	18	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[3x6]H)(C[6]C[6,6]O)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6]){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	120.0606	19.124	5	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]H)(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	122.5390	0.591	2	122.5390	0.349	2	122.5390	0.349	2	120.0606	19.124	5	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6]O)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH)	C[6](C[6]C[4]O[6])(C[6]C[3x6]O)(H)	C[6](C[3x6]C[4,6,6]C[3x6]O)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[4]O[6])(C[6]C[3x6]O)(H){1|H<1>,1|O<2>,4|C<4>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	120.0606	19.124	5	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[6,6]-4:C[3x6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(O)	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[3x6]O)(C[6]O[6]C)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(O){1|O<2>,7|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[3x6]O)(C[6]O[6]C)(H){1|O<2>,2|C<4>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	120.0606	19.124	5	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H){4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	127.6260	0.000	1	127.6260	0.000	1	127.6260	0.000	1	127.6260	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:I-1:	C[6](C[3x6]C[3x6]2C)(C[6]C[6]I)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I)	C[6](C[3x6]C[3x6]2C)(C[6]C[6]I)(O){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3){1|C<4>,1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	120.4230	0.000	1	120.4230	0.000	1	120.4230	0.000	1	118.3055	8.968	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[3x6]-4:C[6]-3:O-1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]H)(O)	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,5|C<4>}	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H){8|C<4>}	116.1880	0.000	1	116.1880	0.000	1	116.1880	0.000	1	118.3055	8.968	2	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3)	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3){1|O<2>,4|C<4>}	126.7210	0.000	1	126.7210	0.000	1	126.4825	0.114	2	123.1942	14.535	4	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3)	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>}	126.2440	0.000	1	126.2440	0.000	1	126.4825	0.114	2	123.1942	14.535	4	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[3x6]-4:C[6]-3:O-1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O)	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	119.9060	0.491	2	119.9060	0.241	2	119.9060	0.241	2	123.1942	14.535	4	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:O-2:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(OH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[6a]-3:C[6]-3:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H)	C[6](C[6]C[3x6]C[6a])(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]C[6a])(C[6]C[3x6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	121.6117	0.548	3	121.6117	0.300	3	121.6117	0.300	3	121.6117	0.300	3	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:4:	4:4:3:1:	3:3:4:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	122.1590	0.000	1	122.1590	0.000	1	122.1590	0.000	1	122.1590	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H){1|C<3>,1|H<1>,3|C<4>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:3:4:	4:4:3:2:	3:4:1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H)	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H){1|O<1>,2|C<3>,4|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H){1|H<1>,1|O<2>,6|C<4>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	121.5627	9.803	90	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[4x6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[4x6]-4:C[6]-3:O-1:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]H)(O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	114.2870	0.201	2	114.2870	0.040	2	114.2870	0.040	2	114.2870	0.040	2	119.2403	11.004	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[4x6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4x6]-4:C[6]-3:H-1:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H)	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H){2|N<3>,5|C<4>}	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	120.4800	0.122	2	120.4800	0.015	2	120.4800	0.015	2	120.4800	0.015	2	119.2403	11.004	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[4x6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[4x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	120.3025	0.342	2	120.3025	0.117	2	120.1490	0.129	3	120.1490	0.129	3	119.2403	11.004	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[4x6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[4x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	119.8420	0.000	1	119.8420	0.000	1	120.1490	0.129	3	120.1490	0.129	3	119.2403	11.004	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[4x6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]H)(H)	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[4x6]H)(C[6]C[6]HO)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]H)(H){2|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[4x6]H)(C[6]C[6]HO)(H){5|C<4>}	123.9410	0.000	1	123.9410	0.000	1	123.9410	0.000	1	123.9410	0.000	1	119.2403	11.004	8	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:1:	3:4:4:2:	4:3:4:	C[6,6]-3:C[6,6]-4:H-1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H)	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]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H){1|C<3>,5|C<4>,6|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]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	124.2020	0.000	1	124.2020	0.000	1	124.2020	0.000	1	124.2020	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:1:	4:3:4:1:	4:3:3:	C[6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-3:N[6]-3:	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C)	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C){1|N<3>,6|C<4>,6|H<1>}	120.2610	0.010	2	120.2610	0.000	2	120.2610	0.000	2	120.2610	0.000	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:1:	4:3:4:1:	4:3:4:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:4:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,5|H<1>}	121.5830	0.000	1	122.1930	0.744	2	122.1930	0.744	2	122.1930	0.744	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:1:	4:4:3:1:	4:3:4:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,6|H<1>}	122.8030	0.000	1	122.1930	0.744	2	122.1930	0.744	2	122.1930	0.744	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:1:	4:4:3:4:	4:3:3:	C[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O){3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H){4|C<4>,6|H<1>}	115.6290	0.000	1	115.6290	0.000	1	115.6290	0.000	1	115.6290	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6]-3:C[6,6]-4:C[6a]-3:	C[6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2){4|H<1>,5|C<3>,5|C<4>}	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6,6]-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	122.5730	0.000	1	122.5730	0.000	1	122.9107	0.281	3	122.9107	0.281	3	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6,6]-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	122.6370	0.000	1	122.6370	0.000	1	122.9107	0.281	3	122.9107	0.281	3	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6,6]-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	123.5220	0.000	1	123.5220	0.000	1	122.9107	0.281	3	122.9107	0.281	3	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	3:3:4:1:	4:4:3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	124.6110	0.000	1	124.6110	0.000	1	124.4440	0.056	2	124.4440	0.056	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	3:3:4:1:	4:4:3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	124.2770	0.000	1	124.2770	0.000	1	124.4440	0.056	2	124.4440	0.056	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.6635	0.945	2	115.6635	0.894	2	115.6635	0.894	2	115.6635	0.894	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	3:4:3:1:	4:4:3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	124.1170	0.000	1	124.1170	0.000	1	124.1170	0.000	1	124.1170	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	4:3:2:4:	4:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	125.5460	0.000	1	125.5460	0.000	1	125.5460	0.000	1	120.8035	44.983	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6,6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O){2|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H){5|C<4>,6|H<1>}	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	120.8035	44.983	2	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:1:	4:3:4:4:	3:3:3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:2:	4:3:3:2:	4:3:3:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.2580	0.305	2	123.6486	0.150	5	123.6486	0.150	5	123.6486	0.150	5	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:2:	4:3:3:2:	4:3:3:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.9090	0.000	3	123.6486	0.150	5	123.6486	0.150	5	123.6486	0.150	5	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	118.3293	1.207	3	117.8750	1.796	4	117.8750	1.796	4	117.8750	1.796	4	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6,6]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	116.5120	0.000	1	117.8750	1.796	4	117.8750	1.796	4	117.8750	1.796	4	121.2730	10.802	30	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:2:3:3:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N)	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,3|C<3>}	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N){2|O<2>,3|H<1>,4|C<3>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:2:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.2120	0.000	1	120.2120	0.000	1	120.9155	0.990	2	120.9155	0.990	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:2:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.6190	0.000	1	121.6190	0.000	1	120.9155	0.990	2	120.9155	0.990	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(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]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O){1|O<2>,4|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]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,2|O<2>}	117.8615	0.766	2	117.8615	0.586	2	117.8615	0.586	2	117.9253	0.305	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(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]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O){1|O<2>,4|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]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	118.0530	0.000	1	118.0530	0.000	1	118.0530	0.000	1	117.9253	0.305	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	S[6]-2:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]S)(O)	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(SC[6a])	C[6](C[6,6]C[6]2S[6])(C[6]C[6]S)(O){1|O<2>,2|H<1>,4|C<3>}	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(SC[6a]){1|C<3>,1|S<2>,2|C<4>}	117.5790	0.000	1	117.5790	0.000	1	117.5790	0.000	1	117.5790	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	S[6]-2:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H)	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,2|S<2>}	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	2:4:4:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]C)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:2:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H)	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[3x6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[3x6]O)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:2:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H){1|O<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H){2|C<3>,2|O<2>}	121.3845	0.421	2	121.3845	0.177	2	121.3845	0.177	2	121.3845	0.177	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:2:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|H<1>,2|O<2>,5|C<3>}	124.0740	0.188	4	124.0740	0.035	4	124.0740	0.035	4	124.0740	0.035	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:2:3:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|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]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	122.6540	0.286	4	122.6540	0.082	4	122.6540	0.082	4	122.6540	0.082	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:2:4:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|C<4>,2|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)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	124.7927	0.137	3	124.7927	0.019	3	124.7927	0.019	3	124.7927	0.019	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:2:4:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH){1|C<4>,1|O<2>,2|C<3>}	115.6490	0.000	1	115.6490	0.000	1	115.6490	0.000	1	115.6490	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:Br-1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br){1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	121.6970	0.612	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.6270	0.000	1	121.6270	0.000	1	121.3210	0.070	3	121.6970	0.612	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1580	0.000	1	121.1680	0.000	2	121.3210	0.070	3	121.6970	0.612	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1780	0.000	1	121.1680	0.000	2	121.3210	0.070	3	121.6970	0.612	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.3270	0.000	1	121.3270	0.000	1	120.8097	0.222	3	120.8097	0.222	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]H)(H){1|O<2>,5|C<3>}	120.5510	0.205	2	120.5510	0.042	2	120.8097	0.222	3	120.8097	0.222	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:2:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	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]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|O<1>,3|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]C[6,6]H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>}	122.6980	0.130	2	122.6980	0.017	2	122.6980	0.017	2	122.6980	0.017	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	121.0590	0.000	1	121.0590	0.000	1	121.5670	0.516	2	121.1840	0.636	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	122.0750	0.000	1	122.0750	0.000	1	121.5670	0.516	2	121.1840	0.636	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9287	0.877	3	120.9287	0.769	3	120.9287	0.769	3	121.1840	0.636	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){2|H<1>,4|C<3>}	118.5895	0.332	2	118.5895	0.110	2	118.5895	0.110	2	118.5895	0.110	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	123.2255	0.234	2	123.2255	0.055	2	123.2255	0.055	2	120.3143	17.460	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	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](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	122.2182	0.287	4	122.2182	0.083	4	122.2182	0.083	4	120.3143	17.460	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H){1|O<2>,3|C<3>}	113.5950	0.414	2	113.5950	0.172	2	113.5950	0.172	2	120.3143	17.460	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO){1|O<2>,3|C<3>}	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:2:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO){1|O<2>,3|C<3>}	112.9500	0.000	1	112.9500	0.000	1	112.9500	0.000	1	112.9500	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H){1|N<3>,3|C<3>}	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	123.1084	0.351	7	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.0270	0.317	4	123.0270	0.100	4	123.0270	0.100	4	123.1084	0.351	7	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H)	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|N<3>,3|C<3>}	122.3350	0.000	1	122.3350	0.000	1	122.7280	0.309	2	123.1084	0.351	7	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|N<3>,3|C<3>}	123.1210	0.000	1	123.1210	0.000	1	122.7280	0.309	2	123.1084	0.351	7	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]N[6]3)(C[6]C[6]C)(O)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]N[6]3)(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|O<1>,3|N<3>}	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H){6|C<3>}	119.7630	0.000	1	119.7630	0.000	1	119.7630	0.000	1	119.7630	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	124.0215	0.665	4	124.0215	0.443	4	124.0215	0.443	4	124.0612	0.340	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	124.0612	0.340	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	122.3190	0.000	1	122.3190	0.000	1	122.3190	0.000	1	119.2855	18.404	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<4>,2|C<3>}	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	119.2855	18.404	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:3:4:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:4:3:	3:2:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6,6a])(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6,6a])(H){1|C<4>,3|C<3>}	124.2660	0.000	1	124.2660	0.000	1	124.2660	0.000	1	124.2660	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>}	123.9530	0.000	1	123.9530	0.000	1	123.9530	0.000	1	121.4025	13.010	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H){1|C<4>,3|C<3>}	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	121.4025	13.010	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:2:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|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](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:2:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:2:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.7210	0.000	1	122.7210	0.000	1	122.7210	0.000	1	122.7210	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(COO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	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>}	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	124.0900	0.283	6	124.0900	0.080	6	124.0900	0.080	6	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	113.1660	0.000	1	113.1660	0.000	1	113.1660	0.000	1	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6,6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	118.1580	0.000	1	118.1580	0.000	1	117.8283	0.108	3	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	117.6635	0.228	2	117.6635	0.052	2	117.8283	0.108	3	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	118.9430	0.000	1	118.9430	0.000	1	118.9430	0.000	1	120.7769	12.398	14	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.0440	0.000	1	121.9605	0.014	2	122.6000	1.234	3	122.6000	1.234	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.8770	0.000	1	121.9605	0.014	2	122.6000	1.234	3	122.6000	1.234	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	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>}	123.8790	0.000	1	123.8790	0.000	1	122.6000	1.234	3	122.6000	1.234	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	125.5485	0.088	2	125.5485	0.008	2	125.5485	0.008	2	125.3323	0.144	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.9000	0.000	1	124.9000	0.000	1	124.9000	0.000	1	125.3323	0.144	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:Br-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	126.0240	0.000	1	126.0240	0.000	1	126.0240	0.000	1	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	124.2590	0.000	1	124.2590	0.000	1	124.2590	0.000	1	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	123.8010	0.000	1	123.4091	0.364	8	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	123.8280	0.000	1	123.4091	0.364	8	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	123.1155	0.457	2	123.4091	0.364	8	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	123.0040	0.045	2	123.4091	0.364	8	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	122.8860	0.000	1	123.4091	0.364	8	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	124.5190	0.000	1	123.4091	0.364	8	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	125.5340	0.000	1	125.5340	0.000	1	123.6452	0.820	9	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	123.7744	1.316	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	125.2080	0.000	1	125.2080	0.000	1	125.4380	0.106	2	123.5891	1.418	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	125.6680	0.000	1	125.6680	0.000	1	125.4380	0.106	2	123.5891	1.418	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>}	122.9390	0.192	3	122.9390	0.037	3	122.9728	0.141	6	123.5891	1.418	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	123.0067	0.560	3	123.0067	0.313	3	122.9728	0.141	6	123.5891	1.418	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.0480	0.598	2	124.0480	0.358	2	124.0480	0.358	2	122.5000	2.749	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	122.5000	2.749	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	122.5000	2.749	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	122.0170	0.000	1	122.0170	0.000	1	120.8455	2.745	2	122.5000	2.749	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	119.6740	0.000	1	119.6740	0.000	1	120.8455	2.745	2	122.5000	2.749	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	123.9925	0.473	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.8120	0.000	1	124.2800	0.213	3	124.2800	0.213	3	123.9925	0.473	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.0140	0.037	2	124.2800	0.213	3	124.2800	0.213	3	123.9925	0.473	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:2:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	123.6865	0.177	2	123.6865	0.032	2	123.6865	0.032	2	123.6865	0.032	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:2:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:2:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]OO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]OO)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO){1|O<2>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	123.9740	0.000	1	123.9740	0.000	1	123.9740	0.000	1	123.2200	0.440	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|C<3>}	122.8850	0.721	2	122.8850	0.520	2	122.8850	0.520	2	123.2200	0.440	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	123.1360	0.000	1	123.1360	0.000	1	123.1360	0.000	1	123.2200	0.440	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	125.2170	0.304	4	125.2170	0.093	4	125.2170	0.093	4	122.2607	8.112	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH){2|C<3>,4|C<4>}	119.9240	0.273	2	119.9240	0.074	2	120.1505	0.130	4	122.2607	8.112	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	120.3770	0.332	2	120.3770	0.110	2	120.1505	0.130	4	122.2607	8.112	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){2|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	122.2607	8.112	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	3:4:1:	C[6,6]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl){2|C<3>,3|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]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.5480	0.000	1	126.5480	0.000	1	126.5480	0.000	1	126.5480	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	121.8370	0.000	1	122.5830	1.113	2	122.5830	1.113	2	122.5830	1.113	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	123.3290	0.000	1	122.5830	1.113	2	122.5830	1.113	2	122.5830	1.113	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.2920	0.553	2	123.2920	0.306	2	123.5080	0.293	3	123.5080	0.293	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:3:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.9400	0.000	1	123.9400	0.000	1	123.5080	0.293	3	123.5080	0.293	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	121.5110	0.000	1	121.5110	0.000	1	121.5110	0.000	1	123.7671	2.530	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	124.6525	0.851	4	124.6525	0.724	4	124.4008	0.377	13	123.7671	2.530	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	124.3718	0.299	5	124.3718	0.089	5	124.4008	0.377	13	123.7671	2.530	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	124.1855	0.718	4	124.1855	0.516	4	124.4008	0.377	13	123.7671	2.530	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	122.3920	0.000	1	122.3920	0.000	1	122.3920	0.000	1	123.7671	2.530	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	123.7671	2.530	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	122.0135	0.293	2	122.6305	0.550	4	122.6305	0.550	4	123.9109	1.733	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	123.2475	0.204	2	122.6305	0.550	4	122.6305	0.550	4	123.9109	1.733	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,2|C<4>}	124.8192	0.217	4	124.9352	0.103	5	124.9352	0.103	5	123.9109	1.733	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,2|C<4>}	125.3990	0.000	1	124.9352	0.103	5	124.9352	0.103	5	123.9109	1.733	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	126.7335	0.496	2	126.7335	0.246	2	126.7335	0.246	2	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O)	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	118.9343	0.542	3	118.9343	0.294	3	118.9343	0.294	3	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	118.8545	0.450	2	119.9877	3.954	3	119.0080	2.318	7	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	122.2540	0.000	1	119.9877	3.954	3	119.0080	2.318	7	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	117.8460	0.447	2	118.2733	0.321	4	119.0080	2.318	7	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	118.5720	0.000	1	118.2733	0.321	4	119.0080	2.318	7	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	118.8290	0.000	1	118.2733	0.321	4	119.0080	2.318	7	120.2772	10.436	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	118.4920	0.000	2	118.4920	0.000	2	118.4920	0.000	2	118.7093	0.142	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Si-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)2(SiC3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6,6]O)2(SiC3){1|C<3>,1|I<1>,3|C<4>}	119.1440	0.000	1	119.1440	0.000	1	119.1440	0.000	1	118.7093	0.142	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	124.0620	0.000	1	124.0620	0.000	1	124.0620	0.000	1	124.0620	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	3:4:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,2|C<4>}	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,4|C<4>}	123.5580	0.000	1	123.5580	0.000	1	121.8935	5.541	2	121.8935	5.541	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,4|C<4>}	120.2290	0.000	1	120.2290	0.000	1	121.8935	5.541	2	121.8935	5.541	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:2:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6]3)(C[6]O[6]H)(H)	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6]3)(C[6]O[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	122.6580	0.522	2	122.6580	0.272	2	122.6580	0.272	2	122.6580	0.272	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	123.2423	0.305	3	122.8665	0.627	4	122.8665	0.627	4	121.3338	12.216	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	121.7390	0.000	1	122.8665	0.627	4	122.8665	0.627	4	121.3338	12.216	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)(O){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O){2|C<3>,2|C<4>}	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	121.3338	12.216	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>}	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	P[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]P[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]P[6]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,6|H<1>}	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6,6]H)(H){2|C<4>,4|C<3>}	129.2100	0.000	1	129.2100	0.000	1	129.2100	0.000	1	129.2100	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	120.2220	0.017	2	120.2220	0.000	2	120.2220	0.000	2	118.6733	7.195	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	118.6733	7.195	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|N<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	124.4863	0.642	6	124.4863	0.412	6	124.1731	0.989	11	124.1731	0.989	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,1|O<2>,3|H<1>}	124.6260	0.000	1	124.6260	0.000	1	124.1731	0.989	11	124.1731	0.989	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>}	124.0910	0.000	1	124.0910	0.000	1	124.1731	0.989	11	124.1731	0.989	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	124.3275	0.657	2	124.3275	0.432	2	124.1731	0.989	11	124.1731	0.989	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO){1|C<4>,2|H<1>,2|O<2>}	121.6140	0.000	1	121.6140	0.000	1	124.1731	0.989	11	124.1731	0.989	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	121.8450	0.000	1	121.8450	0.000	1	121.8450	0.000	1	121.8450	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:2:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){2|C<4>,3|O<2>}	123.6925	1.556	2	123.6925	2.422	2	123.6925	2.422	2	123.6925	2.422	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:3:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:O[6,6]-2:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	124.4980	0.000	1	124.4980	0.000	1	124.4980	0.000	1	124.4980	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	121.8880	0.000	1	121.8880	0.000	1	121.8880	0.000	1	118.4013	9.124	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	116.6580	0.109	2	116.6580	0.012	2	116.6580	0.012	2	118.4013	9.124	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:2:4:3:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:O[6,6]-2:C[3]-4:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6]O[6,6]C[3]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6]C[6a]C[6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.4830	0.000	1	124.4830	0.000	1	124.4830	0.000	1	124.4830	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.0745	0.085	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	120.3330	0.000	1	120.0677	0.127	3	120.0677	0.127	3	120.0745	0.085	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	119.6620	0.000	1	120.0677	0.127	3	120.0677	0.127	3	120.0745	0.085	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	120.2080	0.000	1	120.0677	0.127	3	120.0677	0.127	3	120.0745	0.085	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	125.5550	0.000	1	125.5550	0.000	1	125.5550	0.000	1	125.5550	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	123.8960	0.000	1	123.8960	0.000	1	123.8960	0.000	1	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.3420	0.000	1	124.3420	0.000	1	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|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](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	121.4280	0.000	1	120.8235	0.551	4	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|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](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	121.0740	0.000	1	120.8235	0.551	4	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	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](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	121.0520	0.000	1	120.8235	0.551	4	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	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<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	119.7400	0.000	1	120.8235	0.551	4	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	119.9040	0.000	1	119.9040	0.000	1	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|Si<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]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	120.9560	0.000	1	120.9560	0.000	1	121.2137	2.305	7	121.5490	2.875	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	124.8580	0.000	1	124.8580	0.000	1	124.8580	0.000	1	121.1818	5.740	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	123.5050	0.000	1	123.5050	0.000	1	123.5050	0.000	1	121.1818	5.740	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	121.1818	5.740	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|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<2>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.2375	0.005	2	119.2375	0.000	2	119.5460	0.286	3	121.1818	5.740	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	120.1630	0.000	1	120.1630	0.000	1	119.5460	0.286	3	121.1818	5.740	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H)	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]HH)(C[6]C[6,6]H)(NHS)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	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]HH)(C[6]C[6,6]H)(NHS){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.9330	0.000	1	121.9330	0.000	1	121.9330	0.000	1	121.9330	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	123.9720	0.000	1	123.9720	0.000	1	123.9720	0.000	1	123.9720	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:2:	3:3:3:	C[6,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	126.1610	0.000	2	126.1610	0.000	2	126.1610	0.000	2	126.1610	0.000	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:2:	3:3:4:	C[6,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	125.6430	0.000	2	125.6430	0.000	2	125.6430	0.000	2	125.6430	0.000	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:2:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2{4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	122.3097	0.327	3	122.3097	0.107	3	122.3807	0.091	4	122.3807	0.091	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:2:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	122.5940	0.000	1	122.5940	0.000	1	122.3807	0.091	4	122.3807	0.091	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	124.5980	0.130	2	124.6201	0.049	7	124.4621	0.250	10	124.4621	0.250	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|Se<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<4>}	124.8370	0.000	1	124.6201	0.049	7	124.4621	0.250	10	124.4621	0.250	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.5770	0.273	4	124.6201	0.049	7	124.4621	0.250	10	124.4621	0.250	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.3710	0.000	1	123.3710	0.000	1	124.4621	0.250	10	124.4621	0.250	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|N<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.9110	0.000	1	123.9110	0.000	1	124.4621	0.250	10	124.4621	0.250	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.9980	0.000	1	124.9980	0.000	1	124.4621	0.250	10	124.4621	0.250	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]H)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	122.1430	0.000	1	122.1430	0.000	1	122.1430	0.000	1	122.1430	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.1550	1.666	2	123.1550	2.775	2	123.1550	2.775	2	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.2120	0.000	1	123.2120	0.000	1	121.9580	1.235	3	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3310	0.334	2	121.3310	0.111	2	121.9580	1.235	3	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	122.9890	0.000	1	122.9890	0.000	1	122.9890	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){1|B<3>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.0640	0.000	1	121.0640	0.000	1	121.0640	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<4>,2|C<3>,2|H<1>}	122.5690	0.120	2	122.5690	0.014	2	122.5690	0.014	2	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	122.8690	0.000	1	122.8690	0.000	1	122.8690	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl){1|C<3>,1|H<1>,4|C<4>}	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<4>,2|C<3>,2|H<1>}	116.1605	0.100	2	116.1605	0.010	2	116.1605	0.010	2	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	121.0606	8.997	16	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	123.1995	0.681	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	123.5950	0.289	3	123.5950	0.084	3	123.5950	0.084	3	123.1995	0.681	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H){1|S<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H){3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	124.6800	0.000	1	124.6800	0.000	1	124.6800	0.000	1	124.6800	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:I-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.2060	3.842	2	123.2060	14.764	2	123.2060	14.764	2	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.7990	0.198	2	124.7990	0.039	2	124.7990	0.039	2	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.8675	0.520	12	118.8675	0.271	12	118.8675	0.271	12	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	125.6390	0.000	1	125.4710	0.056	2	125.4710	0.056	2	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	125.3030	0.000	1	125.4710	0.056	2	125.4710	0.056	2	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	121.7620	0.075	2	121.7620	0.006	2	121.7892	0.048	4	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	121.8165	0.368	2	121.8165	0.136	2	121.7892	0.048	4	121.0775	7.461	23	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.9848	0.345	8	123.9848	0.119	8	123.9848	0.119	8	123.9848	0.119	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:2:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]H)(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>}	120.0065	0.421	2	120.0065	0.177	2	120.0065	0.177	2	120.0065	0.177	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:2:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]C)(H)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]C)(H){1|C<3>,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)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	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>}	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	121.4753	23.184	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.3650	0.000	1	124.3650	0.000	1	124.3650	0.000	1	121.4753	23.184	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	115.9170	0.000	1	115.9170	0.000	1	115.9170	0.000	1	121.4753	23.184	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN)	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN){1|C<3>,1|C<4>,2|N<2>}	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	115.1630	0.300	2	114.8144	0.124	5	115.2673	1.330	6	115.2673	1.330	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	114.5820	0.000	3	114.8144	0.124	5	115.2673	1.330	6	115.2673	1.330	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	117.5320	0.000	1	117.5320	0.000	1	115.2673	1.330	6	115.2673	1.330	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH){4|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.9995	0.425	2	124.9995	0.181	2	124.9995	0.181	2	124.9995	0.181	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:2:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[3x6]O)(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[3x6]O)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2{4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	123.0255	0.015	2	123.0255	0.000	2	123.0255	0.000	2	123.2173	0.111	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6a]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|N<2>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.6010	0.000	1	123.6010	0.000	1	123.6010	0.000	1	123.2173	0.111	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	119.0390	0.000	1	119.0390	0.000	1	119.0390	0.000	1	119.0390	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6097	0.436	10	120.6097	0.190	10	120.6097	0.190	10	120.6097	0.190	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.2275	0.525	2	124.2275	0.276	2	124.2275	0.276	2	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[4,6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6,6a]C[6,6]C)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6,6a]C[6,6]C)(C[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.1160	0.602	2	123.1160	0.363	2	123.1160	0.363	2	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,2|C<4>}	123.1675	0.473	2	123.1675	0.224	2	123.1675	0.224	2	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.8455	0.011	2	124.8455	0.000	2	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.4100	0.211	4	124.3120	0.081	5	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.9200	0.000	1	124.3120	0.081	5	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|F<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.3490	0.312	8	124.2599	0.115	10	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.9035	0.194	2	124.2599	0.115	10	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.5799	0.379	9	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.6922	0.664	14	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	121.9445	0.357	2	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	121.6670	0.000	1	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	125.0273	0.932	3	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.7280	0.000	1	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.2620	0.000	1	124.4045	1.036	31	124.3831	0.703	48	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	122.7295	0.429	2	122.7295	0.184	2	122.7295	0.184	2	124.2324	0.794	57	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,2|C<4>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	125.4850	0.000	1	125.4850	0.000	1	125.4850	0.000	1	122.2540	20.879	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|O<1>,2|C<4>,3|C<3>}	119.0230	0.000	1	119.0230	0.000	1	119.0230	0.000	1	122.2540	20.879	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:4:3:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O)	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O){5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:3:4:3:	3:4:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6]O)(O){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|S<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	120.6730	0.000	1	120.6730	0.000	1	120.6730	0.000	1	120.6730	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:2:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]H)(O)	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]H)(O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:2:3:	3:4:3:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){1|C<3>,2|C<4>,6|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](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	115.2590	0.000	1	115.2590	0.000	1	116.5760	3.469	2	116.5760	3.469	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:2:3:	3:4:3:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	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](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	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](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	117.8930	0.000	1	117.8930	0.000	1	116.5760	3.469	2	116.5760	3.469	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F)	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	125.3880	0.000	1	125.3880	0.000	1	125.3880	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br){1|C<3>,2|H<1>,4|C<4>}	123.3200	0.000	1	123.3200	0.000	1	123.3200	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl){1|C<3>,2|H<1>,4|C<4>}	122.4100	0.000	1	122.4100	0.000	1	122.4100	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	122.7955	0.361	2	122.7923	0.321	10	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	123.0272	0.800	4	122.7923	0.321	10	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	123.0170	0.000	1	122.7923	0.321	10	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	122.2390	0.000	1	122.7923	0.321	10	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	122.6700	0.000	1	122.7923	0.321	10	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	122.2970	0.000	1	122.7923	0.321	10	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	123.4040	0.000	1	123.4040	0.000	1	122.8479	0.323	11	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[5x6]H)(C[6]C[6]H)(H)	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[5x6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.0110	0.000	1	122.0110	0.000	1	122.0110	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	123.4380	0.461	2	123.4380	0.213	2	123.4380	0.213	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){2|C<4>,3|H<1>}	123.1525	0.282	2	123.1525	0.080	2	123.1525	0.080	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.9267	0.645	4	123.9267	0.416	4	123.8028	0.296	6	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	123.5550	0.219	2	123.5550	0.048	2	123.8028	0.296	6	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.9300	0.000	1	118.9300	0.000	1	120.3810	4.211	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	121.8320	0.000	1	121.8320	0.000	1	120.3810	4.211	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5590	0.000	1	119.5590	0.000	1	119.9835	0.360	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4080	0.000	1	120.4080	0.000	1	119.9835	0.360	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	119.5270	0.000	1	119.5270	0.000	1	122.2237	5.550	3	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	123.2620	0.000	1	123.2620	0.000	1	122.2237	5.550	3	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	123.8820	0.000	1	123.8820	0.000	1	122.2237	5.550	3	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(H)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	123.9827	0.656	3	123.9827	0.431	3	123.9827	0.431	3	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(O){2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	116.8020	0.000	1	116.8020	0.000	1	116.8445	0.096	4	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	116.6820	0.315	2	116.6820	0.099	2	116.8445	0.096	4	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	117.2120	0.000	1	117.2120	0.000	1	116.8445	0.096	4	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,6|C<4>}	118.6220	0.000	1	118.6220	0.000	1	117.3274	0.454	19	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	116.7790	0.115	3	117.2555	0.376	18	117.3274	0.454	19	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	117.3335	0.659	13	117.2555	0.376	18	117.3274	0.454	19	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	117.4630	0.567	2	117.2555	0.376	18	117.3274	0.454	19	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	116.5267	0.405	3	116.4958	0.113	4	115.3746	1.864	8	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	116.4030	0.000	1	116.4958	0.113	4	115.3746	1.864	8	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	115.3610	0.000	1	115.3610	0.000	1	115.3746	1.864	8	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	114.1665	0.738	2	113.8843	0.511	3	115.3746	1.864	8	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	113.3200	0.000	1	113.8843	0.511	3	115.3746	1.864	8	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	117.0040	0.000	1	117.0040	0.000	1	116.3105	0.667	4	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	115.1310	0.000	1	115.1310	0.000	1	116.3105	0.667	4	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	116.5535	0.101	2	116.5535	0.010	2	116.3105	0.667	4	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(O){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,2|C<4>}	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	118.5880	0.000	1	118.5880	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	118.4015	0.042	2	118.4015	0.002	2	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	118.3430	0.000	1	118.3430	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H){1|H<1>,4|C<4>}	117.2390	0.000	1	117.2390	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	116.9770	0.000	1	116.9770	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	118.0000	0.000	1	118.0000	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	115.4550	0.000	1	115.4550	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|H<1>,1|O<1>,2|C<4>}	115.8380	0.000	1	115.8380	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.6420	0.000	1	117.6420	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	115.3560	0.000	1	115.3560	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]N[6]H)(H){1|H<1>,3|C<4>}	114.4420	0.000	1	114.4420	0.000	1	117.0569	2.061	12	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	115.8015	2.378	2	115.8015	5.655	2	115.8015	5.655	2	119.3007	10.546	90	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.9175	0.105	2	122.9175	0.011	2	122.9175	0.011	2	120.9578	5.979	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(O)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(O){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH){1|N<4>,3|H<1>,4|C<4>}	117.8660	0.000	1	117.8660	0.000	1	117.8660	0.000	1	120.9578	5.979	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(O)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(O){1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1300	0.000	1	120.1300	0.000	1	120.1300	0.000	1	120.9578	5.979	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	123.5630	0.446	4	123.5630	0.199	4	123.5630	0.199	4	121.2156	7.818	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6a]C[6])(O)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6a]C[6])(O){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	121.2156	7.818	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	121.2156	7.818	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	119.4330	0.000	1	119.4330	0.000	1	119.4330	0.000	1	121.2156	7.818	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a])(O){4|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	121.2156	7.818	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	122.8260	0.000	1	122.8260	0.000	1	122.8260	0.000	1	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	125.4790	0.000	1	125.4790	0.000	1	122.9943	5.471	3	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	122.6690	0.000	1	122.6690	0.000	1	122.9943	5.471	3	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	120.8350	0.000	1	120.8350	0.000	1	122.9943	5.471	3	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	116.1305	0.766	2	116.1305	0.586	2	116.1305	0.586	2	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	117.9843	1.095	3	117.9843	1.199	3	118.0763	1.138	8	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	117.4120	0.000	1	117.4120	0.000	1	118.0763	1.138	8	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	117.9150	0.509	2	117.9150	0.259	2	118.0763	1.138	8	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	120.1210	0.000	1	120.1210	0.000	1	118.0763	1.138	8	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	117.2940	0.000	1	117.2940	0.000	1	118.0763	1.138	8	119.1371	7.529	15	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	124.6310	0.000	1	124.6310	0.000	1	124.1120	0.261	4	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	123.9390	0.460	3	123.9390	0.212	3	124.1120	0.261	4	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	122.5220	1.158	2	122.5220	1.342	2	122.5220	1.342	2	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|B<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	123.8190	0.000	1	123.8190	0.000	1	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	123.7530	0.250	2	123.7530	0.063	2	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	122.2410	0.000	1	122.2410	0.000	1	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	121.6580	0.000	1	121.6580	0.000	1	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){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]H)(H){3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	123.5850	0.281	4	123.5850	0.079	4	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){2|H<1>,3|C<4>}	123.7020	0.000	1	123.7020	0.000	1	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	124.1510	0.000	1	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	124.0305	0.674	2	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	122.6730	0.000	1	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	123.7960	0.332	3	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	123.5247	0.445	6	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	123.5580	0.000	2	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	123.6710	0.000	1	123.6380	0.222	16	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	123.5610	0.369	2	122.7180	5.105	7	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	123.7320	0.000	1	122.7180	5.105	7	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	123.4335	0.114	2	122.7180	5.105	7	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	123.6920	0.000	1	122.7180	5.105	7	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	117.6130	0.000	1	122.7180	5.105	7	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	122.8796	0.499	5	122.8796	0.249	5	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	125.5090	0.000	1	125.5090	0.000	1	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	124.1250	0.000	1	124.1250	0.000	1	123.3633	1.301	40	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	123.3658	1.260	47	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	123.9085	0.344	2	124.2104	0.619	5	124.0890	0.584	6	124.0890	0.584	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	124.4117	1.013	3	124.2104	0.619	5	124.0890	0.584	6	124.0890	0.584	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO){2|C<4>,3|H<1>}	123.4820	0.000	1	123.4820	0.000	1	124.0890	0.584	6	124.0890	0.584	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	124.6790	0.000	1	124.6790	0.000	1	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	124.7415	0.093	2	124.7415	0.009	2	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH){2|C<4>,3|H<1>}	125.1880	0.000	1	125.1880	0.000	1	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){2|C<4>,3|H<1>}	124.8100	0.000	1	124.8100	0.000	1	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	123.8590	0.000	1	123.8590	0.000	1	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<4>,3|H<1>}	126.5605	0.053	2	126.5605	0.003	2	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>}	124.9500	0.000	1	124.9500	0.000	1	125.1211	0.795	9	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	124.5320	0.000	1	124.5320	0.000	1	124.5320	0.000	1	125.0622	0.742	10	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H){1|Cl<1>,2|H<1>,5|C<4>}	121.9480	0.000	1	121.9480	0.000	1	121.9480	0.000	1	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	125.0380	0.000	1	125.0380	0.000	1	124.6197	0.131	3	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.4105	0.001	2	124.4105	0.000	2	124.6197	0.131	3	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:I-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	122.6810	0.114	3	122.6810	0.013	3	122.6562	0.022	5	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	122.4490	0.000	1	122.6190	0.058	2	122.6562	0.022	5	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	122.7890	0.000	1	122.6190	0.058	2	122.6562	0.022	5	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	123.1230	0.199	2	123.1230	0.040	2	123.4788	0.550	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	123.8703	0.944	3	123.6568	0.776	4	123.4788	0.550	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	123.0160	0.000	1	123.6568	0.776	4	123.4788	0.550	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H){1|Cl<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]H)(H)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]H)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H){1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	124.1265	0.619	2	124.1265	0.383	2	124.1265	0.383	2	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]H)(H){2|C<4>,3|H<1>}	125.0770	0.000	1	125.0770	0.000	1	125.0770	0.000	1	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	125.5340	0.000	1	125.5340	0.000	1	122.7380	15.635	2	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(H){1|O<2>,4|C<4>,6|H<1>}	119.9420	0.000	1	119.9420	0.000	1	122.7380	15.635	2	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	123.9025	0.742	4	123.9025	0.551	4	123.7681	0.292	8	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	123.4660	0.000	1	123.4660	0.000	1	123.7681	0.292	8	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	123.6175	0.419	2	123.6175	0.176	2	123.7681	0.292	8	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.8340	0.000	1	123.8340	0.000	1	123.7681	0.292	8	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	124.2730	0.000	1	124.2730	0.000	1	123.7596	0.411	9	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	123.3150	0.000	1	123.2735	0.030	4	123.7596	0.411	9	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	123.2597	0.210	3	123.2735	0.030	4	123.7596	0.411	9	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	124.0970	0.103	2	124.0970	0.011	2	123.7596	0.411	9	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	124.9940	0.000	1	124.9940	0.000	1	123.7596	0.411	9	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,6|C<4>}	123.2810	0.000	1	123.2810	0.000	1	123.7596	0.411	9	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){2|H<1>,3|C<4>}	122.2700	0.000	1	122.2700	0.000	1	123.4615	0.777	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.0495	0.100	2	123.0495	0.010	2	123.4615	0.777	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	123.8250	0.000	1	124.3340	0.518	2	123.4615	0.777	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	124.8430	0.000	1	124.3340	0.518	2	123.4615	0.777	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	123.7320	0.000	1	123.7320	0.000	1	123.4615	0.777	6	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:S[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	122.7395	0.046	2	122.7395	0.002	2	122.7395	0.002	2	123.4701	1.191	48	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO){2|H<1>,3|C<4>}	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	123.8080	0.976	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.3400	0.000	1	123.3400	0.000	1	124.1133	0.904	3	123.8080	0.976	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.8250	0.000	1	123.8250	0.000	1	124.1133	0.904	3	123.8080	0.976	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.1750	0.000	1	125.1750	0.000	1	124.1133	0.904	3	123.8080	0.976	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	125.3450	0.000	1	125.3450	0.000	1	125.3450	0.000	1	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	117.6520	0.000	1	117.6520	0.000	1	117.6520	0.000	1	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	118.7355	0.192	4	118.7355	0.037	4	118.7355	0.037	4	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	125.3290	0.000	1	125.3290	0.000	1	125.1095	0.096	2	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3){2|C<3>,2|H<1>,4|C<4>}	124.8900	0.000	1	124.8900	0.000	1	125.1095	0.096	2	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	125.0050	0.000	1	125.0050	0.000	1	125.0050	0.000	1	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.2070	0.000	1	125.2070	0.000	1	125.7138	0.361	4	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	125.8827	0.609	3	125.8827	0.371	3	125.7138	0.361	4	122.7706	12.486	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,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[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	123.0850	0.000	1	123.0850	0.000	1	123.0850	0.000	1	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	126.0150	0.470	2	126.0150	0.220	2	125.3342	0.915	5	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.7570	0.000	1	123.7570	0.000	1	125.3342	0.915	5	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	125.4420	0.000	2	125.4420	0.000	2	125.3342	0.915	5	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]H)(O)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]H)(O){1|O<2>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	118.2090	1.690	3	118.2090	2.856	3	118.2090	2.856	3	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	115.9030	0.304	2	115.9030	0.092	2	116.8842	1.611	5	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	118.2610	0.099	2	117.5383	1.572	3	116.8842	1.611	5	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	116.0930	0.000	1	117.5383	1.572	3	116.8842	1.611	5	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(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]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(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[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,3|C<4>,3|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[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	117.0040	0.689	2	117.0040	0.474	2	117.0040	0.474	2	120.0591	15.462	17	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]C)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO){1|H<1>,2|C<4>,2|O<2>}	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	122.4140	12.842	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6])	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H){1|N<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6]){1|C<2>,1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|O<2>,2|C<4>}	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	122.4140	12.842	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	122.4060	0.000	1	122.4060	0.000	1	122.4060	0.000	1	123.1515	1.112	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	123.8970	0.000	1	123.8970	0.000	1	123.8970	0.000	1	123.1515	1.112	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	124.5860	0.000	1	124.5860	0.000	1	124.5860	0.000	1	124.5860	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	125.8660	0.000	1	125.8660	0.000	1	125.8660	0.000	1	125.4322	0.410	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(H){2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	126.0240	0.000	1	126.0240	0.000	1	126.0240	0.000	1	125.4322	0.410	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|O<2>,2|H<1>,5|C<4>}	124.9195	0.408	2	124.9195	0.166	2	124.9195	0.166	2	125.4322	0.410	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:C-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|N<2>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	126.6350	0.270	2	126.6350	0.073	2	126.6350	0.073	2	126.6350	0.073	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO){1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>}	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){2|N<3>,3|C<4>}	120.2605	0.199	2	120.2605	0.039	2	120.2605	0.039	2	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.3740	0.666	2	124.3740	0.444	2	124.1524	0.466	8	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	124.8905	0.046	2	124.8905	0.002	2	124.1524	0.466	8	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2{1|Br<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.6725	0.486	4	123.6725	0.236	4	124.1524	0.466	8	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	116.2960	0.000	1	116.2960	0.000	1	116.2960	0.000	1	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[5,6]H)(O)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[5,6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>}	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	117.6410	0.552	2	117.6410	0.304	2	117.6410	0.304	2	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)2(Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)2(Br){1|C<3>,1|H<1>,3|C<4>}	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	117.8200	0.000	1	117.8200	0.000	1	117.6440	0.261	5	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	117.1810	0.000	1	117.1810	0.000	1	117.6440	0.261	5	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	117.0580	0.000	1	117.0580	0.000	1	117.6440	0.261	5	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	118.0805	0.269	2	118.0805	0.073	2	117.6440	0.261	5	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>}	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){2|N<3>,3|C<4>}	116.4260	0.755	2	116.4260	0.570	2	116.4260	0.570	2	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]O)(C[6]O[6]O){5|H<1>,6|C<3>}	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H){1|C<3>,2|C<4>}	118.6220	0.000	1	118.6220	0.000	1	118.6220	0.000	1	120.0234	10.287	25	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>}	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	123.3597	0.950	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	124.1870	0.000	1	123.8970	0.168	2	123.8970	0.168	2	123.3597	0.950	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	123.6070	0.000	1	123.8970	0.168	2	123.8970	0.168	2	123.3597	0.950	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	125.4980	0.648	2	125.4980	0.420	2	125.4980	0.420	2	124.5236	4.134	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	124.8115	0.577	4	124.8115	0.333	4	125.0662	0.381	6	124.5236	4.134	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2{1|S<4>,4|C<4>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	125.5755	0.356	2	125.5755	0.127	2	125.0662	0.381	6	124.5236	4.134	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	124.5236	4.134	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	125.0195	0.875	2	125.0195	0.765	2	125.0195	0.765	2	125.0195	0.765	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.7965	0.286	2	125.7965	0.082	2	125.7965	0.082	2	125.7965	0.082	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,3|C<4>}	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H){3|C<3>,3|C<4>}	123.4920	0.040	2	123.4920	0.002	2	123.4920	0.002	2	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	124.5305	0.177	2	124.5305	0.032	2	124.5305	0.032	2	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){4|C<4>}	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	124.8023	0.576	3	124.8023	0.331	3	124.8023	0.331	3	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	124.0280	0.000	1	124.0280	0.000	1	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	122.6113	1.013	3	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	121.8063	0.929	3	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	124.3670	0.000	1	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	122.7906	1.201	5	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	122.4780	1.141	3	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	121.2820	0.014	2	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	123.4880	0.656	2	122.5551	1.268	19	122.6287	1.310	20	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){4|C<4>}	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	123.3920	0.000	1	123.3920	0.000	1	121.6880	4.923	5	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){3|C<4>}	119.8235	0.134	2	119.8235	0.018	2	121.6880	4.923	5	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	120.7300	0.000	1	120.7300	0.000	1	121.6880	4.923	5	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|O<2>,3|C<4>}	124.6710	0.000	1	124.6710	0.000	1	121.6880	4.923	5	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3,6,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3,6,6]C[5,6,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){5|C<4>}	116.5275	0.521	2	116.5275	0.272	2	116.5275	0.272	2	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<4>}	120.3860	0.000	1	119.9750	0.338	2	119.2570	1.715	3	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	119.5640	0.000	1	119.9750	0.338	2	119.2570	1.715	3	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	117.8210	0.000	1	117.8210	0.000	1	119.2570	1.715	3	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	117.3920	0.000	1	117.3920	0.000	1	117.3920	0.000	1	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<3>,3|C<4>}	118.1670	0.151	2	118.1670	0.023	2	118.1670	0.023	2	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]H)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]H)(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H){8|C<4>}	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	115.6190	0.000	1	115.6190	0.000	1	115.6190	0.000	1	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|O<1>,3|C<4>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	116.4940	0.000	1	116.4940	0.000	1	117.5428	1.223	6	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	116.4160	0.000	1	116.4160	0.000	1	117.5428	1.223	6	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)2(H){5|C<4>}	118.4550	0.684	3	118.4550	0.467	3	117.5428	1.223	6	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<2>,4|C<4>}	116.9820	0.000	1	116.9820	0.000	1	117.5428	1.223	6	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:I-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]I)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]I)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	117.2870	0.107	2	117.2870	0.012	2	117.2870	0.012	2	120.7698	8.947	53	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	123.1260	0.000	1	123.1260	0.000	1	123.1260	0.000	1	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	116.5480	0.000	1	116.3207	0.849	3	116.3207	0.849	3	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	117.1070	0.000	1	116.3207	0.849	3	116.3207	0.849	3	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	115.3070	0.000	1	116.3207	0.849	3	116.3207	0.849	3	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	116.9522	0.839	4	116.9522	0.703	4	116.9522	0.703	4	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	120.5050	0.000	1	120.5050	0.000	1	120.5050	0.000	1	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	117.9620	0.744	2	117.9620	0.553	2	117.9620	0.553	2	118.3008	6.964	12	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:C-3:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO){3|C<3>,3|C<4>}	123.8200	0.000	1	123.8200	0.000	1	123.8200	0.000	1	123.8200	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO){2|H<1>,3|C<4>}	125.6400	0.583	2	125.6400	0.339	2	125.6400	0.339	2	122.9797	21.402	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	117.6590	0.000	1	117.6590	0.000	1	117.6590	0.000	1	122.9797	21.402	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){2|H<1>,3|C<4>}	123.4650	0.000	1	123.4650	0.000	1	123.8475	0.293	2	123.9583	0.183	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){5|C<4>}	124.2300	0.000	1	124.2300	0.000	1	123.8475	0.293	2	123.9583	0.183	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	123.9583	0.183	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	115.7360	0.000	1	115.7360	0.000	1	115.7360	0.000	1	115.7360	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|H<1>,3|C<4>}	125.8240	0.000	1	125.8240	0.000	1	125.8240	0.000	1	126.0083	0.216	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	126.5370	0.000	1	126.5370	0.000	1	126.1005	0.381	2	126.0083	0.216	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:4:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	125.6640	0.000	1	125.6640	0.000	1	126.1005	0.381	2	126.0083	0.216	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]H)(H){1|H<1>,4|C<4>}	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	124.2250	3.742	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	124.7780	0.000	1	124.7780	0.000	1	123.7178	3.735	6	124.2250	3.742	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	124.4095	0.575	4	124.4095	0.330	4	123.7178	3.735	6	124.2250	3.742	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){1|O<2>,4|C<4>}	119.8910	0.000	1	119.8910	0.000	1	123.7178	3.735	6	124.2250	3.742	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	124.9260	0.000	1	124.9260	0.000	1	124.9260	0.000	1	124.2250	3.742	8	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	4:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|B<4>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|H<1>,4|C<4>}	124.7830	0.413	2	124.7830	0.171	2	124.7830	0.171	2	124.7830	0.171	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H){3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	124.9520	0.000	1	124.9520	0.000	1	125.3250	0.278	2	120.3496	20.802	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	125.6980	0.000	1	125.6980	0.000	1	125.3250	0.278	2	120.3496	20.802	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]H)(O)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	120.3496	20.802	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	117.4160	0.000	1	117.2845	0.035	2	117.2845	0.035	2	120.3496	20.802	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	117.1530	0.000	1	117.2845	0.035	2	117.2845	0.035	2	120.3496	20.802	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:Cl-1:	C[6](C[6,6]C[6]3)(C[6]C[6]Cl)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6]3)(C[6]C[6]Cl)(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl){2|H<1>,3|C<4>}	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-2:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN)	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C[6](C[6]C[6,6]O)2(SiC3)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC){2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)2(SiC3){1|C<3>,1|I<1>,3|C<4>}	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.8490	0.000	1	122.8490	0.000	1	122.8490	0.000	1	122.8490	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:3:	3:3:4:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	124.7490	0.000	2	124.7490	0.000	2	124.7490	0.000	2	124.7490	0.000	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	124.0250	0.000	1	124.0250	0.000	1	123.4060	0.766	2	123.4060	0.766	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	122.7870	0.000	1	122.7870	0.000	1	123.4060	0.766	2	123.4060	0.766	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	125.0370	0.000	1	125.0370	0.000	1	123.8068	0.898	5	123.8068	0.898	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	124.0505	0.674	2	124.0505	0.454	2	123.8068	0.898	5	123.8068	0.898	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	122.9480	0.174	2	122.9480	0.030	2	123.8068	0.898	5	123.8068	0.898	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>}	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	3:4:3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	126.8480	0.000	1	126.8480	0.000	1	126.8480	0.000	1	126.8480	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	3:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:3:2:2:	3:3:2:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC)	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:3:3:1:	3:3:4:	C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	126.9715	0.090	2	126.9715	0.008	2	126.9715	0.008	2	126.9715	0.008	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|Br<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	126.2660	0.000	1	126.2660	0.000	1	126.4933	0.049	3	126.4933	0.049	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	126.6070	0.144	2	126.6070	0.021	2	126.4933	0.049	3	126.4933	0.049	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(OC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(OC){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6,6]O)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:2:3:	C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|O<2>,2|C<4>}	120.2940	0.000	1	119.7690	0.551	2	119.7690	0.551	2	119.7690	0.551	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:2:3:	C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|N<3>,2|C<4>}	119.2440	0.000	1	119.7690	0.551	2	119.7690	0.551	2	119.7690	0.551	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)2(Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)2(Br){1|C<3>,1|H<1>,3|C<4>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	120.3768	21.911	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>}	112.1350	0.000	1	112.1350	0.000	1	120.2053	29.018	4	120.3768	21.911	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	123.0025	0.383	2	123.0025	0.146	2	120.2053	29.018	4	120.3768	21.911	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	122.6810	0.000	1	122.6810	0.000	1	120.2053	29.018	4	120.3768	21.911	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:N-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	128.0320	0.000	1	128.0320	0.000	1	128.0320	0.000	1	128.0320	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC)	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](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|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](C[6]C[6,6]O)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	121.5440	1.338	2	121.5440	1.790	2	121.5440	1.790	2	121.5440	1.790	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-3:N-2:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(NN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(NN){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	127.9890	1.184	2	127.9890	1.401	2	127.9890	1.401	2	127.9890	1.401	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	123.6840	0.000	1	123.5645	0.029	2	123.5645	0.029	2	123.5645	0.029	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	123.4450	0.000	1	123.5645	0.029	2	123.5645	0.029	2	123.5645	0.029	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:3:	4:3:3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO){2|C<4>,3|C<3>}	122.4195	0.426	2	122.4195	0.182	2	122.4195	0.182	2	122.4195	0.182	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)2(H){5|C<4>}	123.3457	0.396	3	123.3457	0.157	3	123.3457	0.157	3	123.3457	0.157	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:2:	4:4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	124.6860	0.000	1	124.6860	0.000	1	124.6860	0.000	1	124.6860	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	2:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	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]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|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]C[6,6]C)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|O<2>}	120.9225	0.032	2	120.6693	0.193	3	120.6693	0.193	3	120.6693	0.193	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	2:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	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]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|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]C[6,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	120.1630	0.000	1	120.6693	0.193	3	120.6693	0.193	3	120.6693	0.193	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6,6]-4:C[6]-3:C-3:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO){4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.1580	0.000	1	121.1580	0.000	1	121.5547	0.090	4	121.5547	0.090	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	121.7070	0.000	1	121.7070	0.000	1	121.5547	0.090	4	121.5547	0.090	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	121.6770	0.242	2	121.6770	0.058	2	121.5547	0.090	4	121.5547	0.090	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:4:2:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi){1|C<3>,1|H<1>,1|N<3>,2|C<2>}	122.5635	0.035	2	122.5635	0.001	2	122.5635	0.001	2	122.5635	0.001	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C-3:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO)	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,2|H<1>,2|N<3>}	121.4355	0.086	2	121.4355	0.007	2	121.4355	0.007	2	121.4355	0.007	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H)	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H){1|N<2>,1|N<3>,2|C<3>}	124.6190	0.000	1	124.6190	0.000	1	124.6190	0.000	1	124.6190	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:2:3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3480	0.311	2	117.3480	0.097	2	117.3480	0.097	2	117.3480	0.097	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	119.9340	0.171	2	119.9340	0.029	2	119.9340	0.029	2	119.9340	0.029	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:4:3:	3:3:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:4:3:	3:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H){1|C<4>,4|C<3>}	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:2:4:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	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>}	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	121.8560	0.000	1	121.8560	0.000	1	121.8560	0.000	1	121.8560	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	117.4290	0.000	1	117.4290	0.000	1	122.3475	10.963	4	122.3475	10.963	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	124.6040	0.000	1	124.6040	0.000	1	122.3475	10.963	4	122.3475	10.963	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	123.6785	0.250	2	123.6785	0.062	2	122.3475	10.963	4	122.3475	10.963	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	3:4:4:3:	3:4:2:	C[6,6]-4:C[6]-3:N-3:	N[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-2:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH)	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N){1|C<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN){1|N<3>,2|C<4>,2|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:2:4:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,1|O<2>,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>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:2:4:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO){1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:B-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	117.5138	1.378	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.8363	0.711	8	117.8363	0.505	8	117.8363	0.505	8	117.5138	1.378	9	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO){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]C)2(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	121.1560	2.654	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6,6]-4:C[6]-3:N-3:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN){2|C<4>,2|H<1>,3|C<3>}	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	121.1560	2.654	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:3:3:	3:3:2:	C[6,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH){2|C<4>,3|H<1>,4|C<3>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN){1|H<1>,2|C<3>,2|C<4>}	117.1540	0.000	1	117.1540	0.000	1	117.1540	0.000	1	119.9942	2.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:S-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	120.7480	0.444	2	120.7480	0.197	2	120.7480	0.197	2	119.9942	2.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:Se-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	121.3220	0.000	1	121.3220	0.000	1	120.6605	0.875	2	119.9942	2.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:Se-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|Se<2>,1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	119.9990	0.000	1	119.9990	0.000	1	120.6605	0.875	2	119.9942	2.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,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>}	118.6245	1.389	2	118.6245	1.931	2	118.6245	1.931	2	119.4115	2.935	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(CCO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(CCO){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|C<4>,3|H<1>}	120.8270	0.000	1	120.8270	0.000	1	119.7519	3.419	8	119.4115	2.935	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|H<1>,3|C<4>}	120.6995	0.738	4	120.6995	0.544	4	119.7519	3.419	8	119.4115	2.935	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|H<1>,3|C<4>}	120.4470	0.000	1	118.1300	4.830	3	119.7519	3.419	8	119.4115	2.935	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	116.9715	1.268	2	118.1300	4.830	3	119.7519	3.419	8	119.4115	2.935	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	119.4115	2.935	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:4:	C[6,6]-4:C[6]-3:C-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|H<1>,1|N<2>,2|C<4>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	116.6610	31.040	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:4:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH){1|H<1>,2|C<4>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	116.6610	31.040	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:2:4:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	120.4420	0.000	1	120.4420	0.000	1	120.4420	0.000	1	116.6610	31.040	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH){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)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	119.9588	15.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.9588	15.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H){2|H<1>,3|C<4>}	118.7750	0.000	1	118.7750	0.000	1	118.7750	0.000	1	119.9588	15.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){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)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H){2|C<4>,2|H<1>,3|C<3>}	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	119.9588	15.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H){2|C<3>,2|C<4>,2|H<1>}	125.7220	0.000	1	125.7220	0.000	1	125.7220	0.000	1	119.9588	15.791	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	117.5345	27.269	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	117.5345	27.269	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3){2|H<1>,3|C<4>}	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:Cl-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl){2|C<4>,3|H<1>}	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	121.2645	0.435	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	121.2645	0.435	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:2:	C[6,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	120.1280	0.493	3	120.1280	0.243	3	120.1280	0.243	3	120.9993	3.198	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|C<4>,3|H<1>}	123.6130	0.000	1	123.6130	0.000	1	123.6130	0.000	1	120.9993	3.198	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H){1|O<1>,1|S<4>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O){1|H<1>,4|C<4>}	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	120.7950	0.000	1	120.7363	0.003	3	120.7363	0.003	3	120.7363	0.003	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){2|H<1>,3|C<4>}	120.7070	0.028	2	120.7363	0.003	3	120.7363	0.003	3	120.7363	0.003	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){2|Br<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO){2|H<1>,3|C<4>}	123.2520	0.000	1	123.2520	0.000	1	123.2520	0.000	1	123.2520	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|O<2>,3|C<4>}	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H){1|H<1>,4|C<4>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	116.7646	8.139	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	115.4995	0.427	4	115.4995	0.182	4	115.4995	0.182	4	116.7646	8.139	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	120.6287	4.355	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	119.4290	0.274	2	119.4290	0.075	2	119.4290	0.075	2	120.6287	4.355	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]H)(COO)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]H)(COO){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<4>,2|C<3>,2|O<2>,8|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:3:	4:4:4:3:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	120.7270	0.157	2	120.7270	0.025	2	120.7270	0.025	2	120.7270	0.025	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|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>}	120.5890	0.803	4	120.5890	0.645	4	120.5890	0.645	4	120.5890	0.645	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	121.9100	0.625	2	121.9100	0.391	2	121.9100	0.391	2	120.3203	3.506	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:Si-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6](C[6]C[6,6]Si)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]Si)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	118.7305	0.134	2	118.7305	0.018	2	118.7305	0.018	2	120.3203	3.506	4	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO){2|C<4>,2|H<1>,3|C<3>}	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	123.0065	0.175	2	123.0065	0.031	2	122.9880	0.016	3	122.9880	0.016	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	122.9510	0.000	1	122.9510	0.000	1	122.9880	0.016	3	122.9880	0.016	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	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[3,6]O)(C[6]C[6,6]C)(Br)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	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[3,6]O)(C[6]C[6,6]C)(Br){2|C<4>,3|O<2>}	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH)	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	120.4920	1.219	2	120.4920	1.486	2	120.4920	1.486	2	120.4920	1.486	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	118.4928	0.072	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	118.4384	0.261	5	118.4384	0.068	5	118.4384	0.068	5	118.4928	0.072	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|O<2>,5|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	117.6370	31.617	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	121.8020	0.000	1	121.8020	0.000	1	120.8350	1.870	2	117.6370	31.617	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	119.8680	0.000	1	119.8680	0.000	1	120.8350	1.870	2	117.6370	31.617	3	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|C<4>,3|H<1>}	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	121.7655	1.071	2	121.7655	1.148	2	121.7655	1.148	2	121.0447	0.785	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	122.7150	0.000	1	122.7150	0.000	1	120.8846	0.679	9	121.0447	0.785	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	121.3250	0.000	1	121.3250	0.000	1	120.8846	0.679	9	121.0447	0.785	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	120.3180	0.000	1	120.3180	0.000	1	120.8846	0.679	9	121.0447	0.785	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	120.6005	0.465	6	120.6005	0.216	6	120.8846	0.679	9	121.0447	0.785	11	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:2:	C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	120.4650	0.000	1	120.4650	0.000	1	120.9334	0.417	5	120.9334	0.417	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	121.0505	0.682	4	121.0505	0.465	4	120.9334	0.417	5	120.9334	0.417	5	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	120.9240	0.000	1	120.9240	0.000	1	120.9240	0.000	1	120.9448	1.097	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	120.9448	1.097	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H){1|H<1>,4|C<4>}	121.2720	0.083	2	121.2720	0.007	2	120.6595	1.269	4	120.9448	1.097	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){2|H<1>,3|C<4>}	118.9750	0.000	1	118.9750	0.000	1	120.6595	1.269	4	120.9448	1.097	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H){2|H<1>,4|C<4>}	121.1190	0.000	1	121.1190	0.000	1	120.6595	1.269	4	120.9448	1.097	6	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:2:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|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](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H){1|O<2>,2|C<4>,2|H<1>}	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	121.4660	0.000	1	121.4660	0.000	1	121.4660	0.000	1	121.4660	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|H<1>,3|C<4>}	120.7910	1.319	2	120.7910	1.741	2	120.7910	1.741	2	120.7910	1.741	2	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	121.8490	0.000	1	121.8490	0.000	1	121.6261	0.266	13	121.6261	0.266	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	121.7794	0.317	7	121.7794	0.101	7	121.6261	0.266	13	121.6261	0.266	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	122.1930	0.000	1	122.1930	0.000	1	121.6261	0.266	13	121.6261	0.266	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	121.1603	0.629	4	121.1603	0.396	4	121.6261	0.266	13	121.6261	0.266	13	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|H<1>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3){2|H<1>,3|C<4>}	123.8440	0.000	1	123.8440	0.000	1	123.8440	0.000	1	123.8440	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	121.5320	0.000	1	121.5320	0.000	1	121.5320	0.000	1	121.5320	0.000	1	121.7151	9.238	1041	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:2:1:1:	4:4:3:	C[3x6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-3:	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.3750	0.122	2	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:2:1:1:	4:4:3:	C[3x6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,6|H<1>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	122.3750	0.122	2	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:4:1:1:	4:3:3:	C[3x6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.0085	0.162	2	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:4:1:1:	4:3:3:	C[3x6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]O)(C[6]O[6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	115.7240	0.000	1	115.7240	0.000	1	115.7240	0.000	1	116.0085	0.162	2	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:4:1:1:	4:4:3:	C[3x6]-3:C[6]-4:Br-1:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	126.1110	0.417	2	126.1110	0.174	2	126.1110	0.174	2	124.7938	2.537	4	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:4:1:1:	4:4:3:	C[3x6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	124.7938	2.537	4	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	3:4:1:1:	4:4:3:	C[3x6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6]-3:	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H)	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	123.9750	0.000	1	123.9750	0.000	1	123.9750	0.000	1	124.7938	2.537	4	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[3x6]	3:4:1:	4:3:3:1:	4:4:3:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H){1|H<1>,3|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	121.8001	14.233	9	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,4|C<4>,5|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	127.0120	0.000	1	127.0120	0.000	1	127.0120	0.000	1	122.3007	17.090	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	119.2800	0.000	1	119.2800	0.000	1	119.9450	0.884	2	122.3007	17.090	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	120.6100	0.000	1	120.6100	0.000	1	119.9450	0.884	2	122.3007	17.090	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:4:1:	3:3:2:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-2:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<2>}	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:4:4:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:4:4:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.9350	0.000	1	121.6790	0.131	2	121.6790	0.131	2	121.6790	0.131	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:4:4:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|H<1>,5|C<4>}	121.4230	0.000	1	121.6790	0.131	2	121.6790	0.131	2	121.6790	0.131	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:2:4:4:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3){2|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<2>,2|O<2>,3|H<1>,5|C<4>}	116.2240	0.000	2	116.2240	0.000	2	116.2240	0.000	2	116.2240	0.000	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H){1|O<2>,4|C<3>,5|H<1>}	123.5330	0.000	1	123.5330	0.000	1	123.1050	0.366	2	123.7742	0.761	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	122.6770	0.000	1	122.6770	0.000	1	123.1050	0.366	2	123.7742	0.761	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	124.4435	0.356	2	124.4435	0.127	2	124.4435	0.127	2	123.7742	0.761	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:S[6]-2:	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	125.6690	0.000	1	125.6690	0.000	1	124.7500	0.679	3	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	124.0760	0.000	1	124.0760	0.000	1	124.7500	0.679	3	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.5050	0.000	1	124.5050	0.000	1	124.7500	0.679	3	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	124.0390	0.000	1	124.0390	0.000	1	124.0390	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2{3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	123.4170	0.741	2	123.4170	0.549	2	123.4170	0.549	2	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	124.9630	0.000	1	124.9630	0.000	1	125.1077	0.756	4	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	125.6880	0.000	1	125.6880	0.000	1	125.1077	0.756	4	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	123.9370	0.000	1	124.8900	1.816	2	125.1077	0.756	4	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	125.8430	0.000	1	124.8900	1.816	2	125.1077	0.756	4	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	122.6880	0.000	1	122.6880	0.000	1	122.6880	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2{2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<4>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	124.0750	0.000	1	124.0750	0.000	1	124.0750	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	125.4180	0.000	1	125.4180	0.000	1	124.8900	0.558	2	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.8900	0.558	2	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	125.2910	0.000	1	125.2910	0.000	1	125.2910	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	124.2120	1.728	18	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:2:2:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:N-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:3:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	124.7320	0.000	1	124.7320	0.000	1	124.7320	0.000	1	124.7320	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:2:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.3858	0.431	8	116.3427	0.180	9	116.3427	0.180	9	116.3427	0.180	9	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:2:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.9980	0.000	1	116.3427	0.180	9	116.3427	0.180	9	116.3427	0.180	9	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2{3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<2>,2|C<4>,2|N<3>}	123.2160	0.000	1	123.2160	0.000	1	123.2160	0.000	1	123.2160	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	119.1785	1.599	2	119.1785	2.556	2	119.1459	0.603	22	119.1459	0.603	22	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	119.6277	0.192	3	119.1333	0.560	19	119.1459	0.603	22	119.1459	0.603	22	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	118.5630	0.000	1	119.1333	0.560	19	119.1459	0.603	22	119.1459	0.603	22	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	119.1982	1.076	5	119.1333	0.560	19	119.1459	0.603	22	119.1459	0.603	22	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	119.0095	0.679	10	119.1333	0.560	19	119.1459	0.603	22	119.1459	0.603	22	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	119.3210	0.000	1	119.3210	0.000	1	119.1459	0.603	22	119.1459	0.603	22	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:3:4:4:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)2(CH3)2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O){1|O<1>,2|C<4>,3|O<2>}	C[6](C[6]C[6,6]O)2(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	121.0450	1.546	2	121.0450	2.389	2	121.0450	2.389	2	121.0450	2.389	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:S[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:Br-1:Br-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]Br2)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(Br)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]Br2)(O){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(Br)2{1|C<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6]){2|Br<1>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	114.4160	0.029	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,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>,2|C<4>,5|H<1>}	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	114.4160	0.029	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|Ge<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.8220	0.000	1	122.8220	0.000	1	122.8220	0.000	1	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	114.3980	0.000	1	114.9340	0.575	2	116.6648	1.974	6	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	115.4700	0.000	1	114.9340	0.575	2	116.6648	1.974	6	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,5|H<1>}	117.7130	0.000	1	117.7130	0.000	1	116.6648	1.974	6	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	117.6720	0.126	2	117.6720	0.016	2	116.6648	1.974	6	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O){3|C<4>,4|H<1>}	117.0640	0.000	1	117.0640	0.000	1	116.6648	1.974	6	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O){2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C){2|C<4>,8|H<1>}	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.6235	0.373	2	116.6235	0.139	2	116.6235	0.139	2	117.3705	4.398	11	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	124.5543	0.380	3	124.5543	0.144	3	124.5543	0.144	3	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(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]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	125.1350	0.000	1	125.1350	0.000	1	124.2160	1.299	4	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	124.4310	0.000	1	124.4310	0.000	1	124.2160	1.299	4	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	124.7360	0.000	1	124.7360	0.000	1	124.2160	1.299	4	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	122.5620	0.000	1	122.5620	0.000	1	124.2160	1.299	4	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O){2|C<3>,3|C<4>,9|H<1>}	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	118.0740	0.000	1	118.0740	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	118.9330	0.000	1	118.9330	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.0820	0.269	2	118.1698	0.410	12	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	117.4445	0.425	2	118.1698	0.410	12	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	118.2570	0.351	4	118.1698	0.410	12	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	118.4892	0.892	4	118.1698	0.410	12	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	118.4650	0.000	1	118.4650	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	117.6695	0.247	4	117.6695	0.061	4	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.4625	0.076	2	117.7138	0.158	12	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	117.5640	0.208	10	117.7138	0.158	12	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.0390	0.301	2	118.0390	0.091	2	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.3060	0.000	1	118.3060	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,6|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){2|C<4>,6|H<1>}	118.5710	0.000	1	118.5710	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	116.8300	0.000	1	116.8300	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	118.1610	0.000	1	118.0853	0.004	3	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	118.0360	0.000	1	118.0853	0.004	3	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	118.0590	0.000	1	118.0853	0.004	3	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	118.0153	0.044	3	118.0153	0.002	3	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	117.9110	0.000	2	117.9110	0.000	2	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	118.7030	0.000	1	118.7030	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	118.2673	0.436	4	118.2673	0.190	4	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.2357	0.479	4	118.2357	0.229	4	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	119.9040	0.537	2	119.9040	0.289	2	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	117.5945	0.552	4	117.5945	0.305	4	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	118.1956	0.309	7	118.1956	0.095	7	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.1160	0.000	1	118.1160	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	117.7400	0.000	1	117.7400	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	118.1590	0.000	1	118.1590	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	118.6770	0.000	2	118.6770	0.000	2	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	117.0620	0.000	1	117.0620	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	116.0130	0.000	1	116.0130	0.000	1	118.0462	0.405	73	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	118.6006	3.559	82	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	125.6520	0.000	1	125.6520	0.000	1	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	125.3370	0.000	1	125.3370	0.000	1	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H){4|C<4>,6|H<1>}	124.4330	0.000	1	124.4330	0.000	1	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	125.1055	0.467	2	125.1055	0.218	2	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<3>,3|C<4>,3|H<1>}	123.7560	0.000	1	123.9600	0.083	2	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	124.1640	0.000	1	123.9600	0.083	2	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.5556	0.973	8	124.5556	0.946	8	124.6665	0.706	15	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	117.7405	0.310	2	117.7405	0.096	2	117.7405	0.096	2	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	117.9720	0.000	1	117.6450	0.214	2	117.6450	0.214	2	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	117.3180	0.000	1	117.6450	0.214	2	117.6450	0.214	2	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,3|C<4>,6|H<1>}	120.1010	0.000	2	120.1010	0.000	2	120.1010	0.000	2	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	118.6330	0.054	3	118.8025	0.117	4	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){5|C<4>,6|H<1>}	119.3110	0.000	1	118.8025	0.117	4	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	119.2995	0.177	2	119.2995	0.032	2	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	119.2397	0.411	3	119.2397	0.169	3	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	117.3817	0.663	4	117.6734	0.517	7	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	118.2410	0.000	1	117.6734	0.517	7	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	118.6590	0.000	1	117.6734	0.517	7	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	117.2870	0.000	1	117.6734	0.517	7	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	119.5763	0.351	3	119.5763	0.123	3	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	117.8630	0.000	1	117.8630	0.000	1	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	119.2505	0.606	2	119.0897	0.261	3	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	118.7680	0.000	1	119.0897	0.261	3	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	118.2640	0.000	1	118.2640	0.000	1	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	117.4330	0.000	1	117.9017	0.198	3	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	118.1360	0.257	2	117.9017	0.198	3	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	117.3020	0.000	1	117.3020	0.000	1	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	119.4850	0.000	1	119.4850	0.000	1	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	119.0890	0.000	1	119.0890	0.000	1	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	115.1440	0.000	1	115.1440	0.000	1	118.4546	1.102	31	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,6|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	119.0220	0.000	1	119.0220	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	116.7760	0.018	2	116.7760	0.000	2	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	117.9765	0.684	2	117.9765	0.468	2	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	117.5550	0.000	1	117.5240	0.002	2	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	117.4930	0.000	1	117.5240	0.002	2	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	116.5500	0.000	1	116.5500	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	118.2230	0.000	1	118.2230	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	116.7950	0.000	1	116.7950	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	115.9690	0.000	1	115.9690	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,2|O<2>,7|H<1>}	118.6560	0.000	1	118.6560	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)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]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	119.5030	0.000	1	119.5030	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	116.3330	0.184	2	116.3330	0.034	2	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	118.0180	0.000	1	118.0180	0.000	1	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	117.5730	0.000	1	118.0330	0.208	3	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	118.4840	0.000	1	118.0330	0.208	3	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	118.0420	0.000	1	118.0330	0.208	3	117.5818	1.004	19	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.2490	0.000	1	118.2490	0.000	1	116.5990	5.625	5	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	112.6980	0.000	1	112.6980	0.000	1	116.5990	5.625	5	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	116.2230	0.000	1	116.2230	0.000	1	116.5990	5.625	5	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	117.2170	0.000	1	117.2170	0.000	1	116.5990	5.625	5	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.6080	0.000	1	118.6080	0.000	1	116.5990	5.625	5	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	118.3300	0.000	1	118.5220	0.163	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	118.9820	0.389	2	118.5220	0.163	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	118.2793	0.115	3	118.5220	0.163	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	119.2450	0.798	4	119.2450	0.636	4	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	118.5430	0.000	1	118.5430	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	118.3120	1.322	2	118.3120	1.748	2	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	117.5225	0.581	2	118.2772	0.462	64	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	118.9125	0.665	2	118.2772	0.462	64	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	118.3262	0.764	29	118.2772	0.462	64	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	118.3849	0.511	15	118.2772	0.462	64	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	118.1023	0.613	16	118.2772	0.462	64	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	117.0965	0.308	2	117.8756	0.306	48	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	117.4200	0.710	2	117.8756	0.306	48	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	117.8402	0.574	8	117.8756	0.306	48	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	117.9520	0.524	36	117.8756	0.306	48	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	118.4360	0.000	1	118.4360	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	119.7135	0.292	2	119.1360	1.043	3	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	117.9810	0.000	1	119.1360	1.043	3	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	119.6340	0.000	1	118.7900	0.189	8	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	118.6694	0.292	7	118.7900	0.189	8	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	117.8662	0.672	6	117.8662	0.451	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	117.6130	0.000	1	118.5707	0.275	15	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	118.8460	0.184	2	118.5707	0.275	15	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	119.6100	0.000	1	118.5707	0.275	15	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	118.5132	0.404	11	118.5707	0.275	15	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	118.4190	0.000	1	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	117.3417	0.654	3	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	116.5000	0.464	2	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	118.5777	1.309	3	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	117.9230	0.557	2	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	117.8266	0.455	11	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.6833	0.447	4	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	117.5302	0.384	5	117.7258	0.485	31	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	117.0100	0.000	1	116.2010	1.309	2	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	115.3920	0.000	1	116.2010	1.309	2	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	118.3070	0.000	1	118.3070	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	118.3870	0.000	1	118.1130	0.150	2	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.8390	0.000	1	118.1130	0.150	2	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	118.5670	0.581	2	118.5670	0.338	2	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	118.2582	0.601	5	118.1658	0.336	17	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	117.8955	0.383	4	118.1658	0.336	17	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	118.2433	0.666	8	118.1658	0.336	17	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	118.7900	0.859	4	118.4802	0.806	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	117.8605	0.817	2	118.4802	0.806	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	116.2580	0.000	1	116.2580	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	118.6430	0.000	1	118.6430	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	117.4750	0.000	1	117.4750	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	117.8662	0.437	5	117.8662	0.191	5	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	118.2405	0.173	2	118.1142	0.141	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	117.7050	0.359	2	118.1142	0.141	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	118.3970	0.147	2	118.1142	0.141	6	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	118.0070	0.000	1	117.9070	0.134	10	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	117.9469	0.379	8	117.9070	0.134	10	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.4880	0.000	1	117.9070	0.134	10	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	118.1060	0.000	1	118.1060	0.000	1	118.1303	0.515	244	118.4519	2.828	323	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:Br-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	126.1173	0.434	3	126.1173	0.189	3	126.1173	0.189	3	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	122.8815	0.139	2	122.8815	0.019	2	122.8815	0.019	2	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,5|C<4>,6|H<1>}	124.2360	0.208	2	124.2360	0.043	2	124.2360	0.043	2	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H){6|H<1>,7|C<4>}	124.3700	0.000	1	124.3700	0.000	1	124.1287	0.190	3	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	124.0080	0.542	2	124.0080	0.293	2	124.1287	0.190	3	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H){4|C<4>,9|H<1>}	125.3270	0.140	2	125.3270	0.020	2	124.2646	1.264	5	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H){1|O<2>,5|C<4>,7|H<1>}	124.4220	0.000	1	124.4220	0.000	1	124.2646	1.264	5	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2{2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	123.1235	0.390	2	123.1235	0.152	2	124.2646	1.264	5	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	124.6800	0.000	1	124.5008	0.234	4	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	125.0420	0.000	1	124.5008	0.234	4	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){4|C<4>,6|H<1>}	124.1405	0.342	2	124.5008	0.234	4	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	125.0300	0.000	1	125.0300	0.000	1	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.2340	0.000	1	125.3810	0.045	3	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	125.4545	0.241	2	125.3810	0.045	3	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|B<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,5|H<1>}	125.5010	0.000	1	125.5010	0.000	1	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	124.5844	0.710	5	124.4261	0.444	7	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	124.0305	0.457	2	124.4261	0.444	7	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	124.1694	0.304	5	124.1694	0.092	5	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	123.0097	3.243	3	123.0097	10.515	3	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	126.5310	0.000	1	126.5310	0.000	1	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	123.2110	0.000	1	123.2110	0.000	1	124.4338	1.655	26	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	125.1430	0.000	1	125.1430	0.000	1	125.1430	0.000	1	124.4456	1.502	42	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	125.3750	0.000	1	125.3750	0.000	1	124.8850	0.281	7	124.8850	0.281	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	124.8033	0.530	6	124.8033	0.281	6	124.8850	0.281	7	124.8850	0.281	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	125.0130	0.000	1	125.0130	0.000	1	124.6580	0.252	2	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	124.3030	0.000	1	124.3030	0.000	1	124.6580	0.252	2	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,5|C<4>,5|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	124.3410	0.000	1	124.3410	0.000	1	124.9271	0.675	8	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	124.0570	0.205	2	124.0570	0.042	2	124.9271	0.675	8	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	126.0850	0.000	1	126.0850	0.000	1	124.9271	0.675	8	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.5055	0.903	2	125.5055	0.815	2	124.9271	0.675	8	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	124.9070	0.000	1	124.9070	0.000	1	124.9271	0.675	8	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	124.9590	0.000	1	124.9590	0.000	1	124.9271	0.675	8	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	124.5303	1.105	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,2|C<4>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	123.4350	0.621	2	122.6653	1.970	3	122.6653	1.970	3	122.6653	1.970	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:3:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	121.1260	0.000	1	122.6653	1.970	3	122.6653	1.970	3	122.6653	1.970	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:3:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	123.7400	0.000	1	123.7400	0.000	1	123.7400	0.000	1	123.7400	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:3:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	126.7925	0.275	2	126.7925	0.076	2	126.7925	0.076	2	126.3607	0.597	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:3:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	125.4970	0.000	1	125.4970	0.000	1	125.4970	0.000	1	126.3607	0.597	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.1560	0.000	1	123.1560	0.000	1	124.1575	2.006	2	124.1575	2.006	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	125.1590	0.000	1	125.1590	0.000	1	124.1575	2.006	2	124.1575	2.006	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2{1|O<2>,4|C<4>,4|H<1>}	125.3916	0.433	5	125.3916	0.187	5	125.3916	0.187	5	119.8601	24.554	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){5|C<4>,5|H<1>}	116.2540	0.000	1	116.2540	0.000	1	115.9090	1.180	7	119.8601	24.554	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	117.4170	0.000	1	117.4170	0.000	1	115.9090	1.180	7	119.8601	24.554	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.2242	0.821	4	115.5384	0.999	5	115.9090	1.180	7	119.8601	24.554	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	116.7950	0.000	1	115.5384	0.999	5	115.9090	1.180	7	119.8601	24.554	12	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	122.3623	2.993	3	122.3623	8.956	3	122.9075	7.159	4	122.9075	7.159	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	124.5430	0.000	1	124.5430	0.000	1	122.9075	7.159	4	122.9075	7.159	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:2:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:2:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	124.8675	1.234	2	124.8675	1.523	2	124.6066	0.710	5	124.6066	0.710	5	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:2:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	124.7250	0.759	2	124.7250	0.577	2	124.6066	0.710	5	124.6066	0.710	5	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:2:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	123.8480	0.000	1	123.8480	0.000	1	124.6066	0.710	5	124.6066	0.710	5	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	125.8415	0.006	2	126.2480	0.496	3	125.7824	0.361	9	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	127.0610	0.000	1	126.2480	0.496	3	125.7824	0.361	9	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	125.5660	0.000	1	125.5660	0.000	1	125.7824	0.361	9	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	125.3845	0.401	2	125.3845	0.161	2	125.7824	0.361	9	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	125.0220	0.000	1	125.0220	0.000	1	125.7824	0.361	9	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	125.9705	0.268	2	125.9705	0.072	2	125.7824	0.361	9	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	119.3390	0.000	1	119.3390	0.000	1	119.3390	0.000	1	125.1381	4.473	10	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	125.7300	0.000	1	125.7300	0.000	1	125.5305	1.246	13	125.5305	1.246	13	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	127.0180	1.059	2	127.0180	1.122	2	125.5305	1.246	13	125.5305	1.246	13	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	124.8370	0.000	1	125.8954	0.899	5	125.5305	1.246	13	125.5305	1.246	13	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	126.1600	0.856	4	125.8954	0.899	5	125.5305	1.246	13	125.5305	1.246	13	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	124.4907	0.148	4	124.4907	0.022	4	125.5305	1.246	13	125.5305	1.246	13	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	124.6900	0.000	1	124.6900	0.000	1	125.5305	1.246	13	125.5305	1.246	13	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	3:2:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	122.0930	0.000	1	122.0930	0.000	1	122.0930	0.000	1	122.0930	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:3:2:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.8250	0.000	1	124.8250	0.000	1	125.0320	0.086	2	125.0320	0.086	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:3:2:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>}	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>}	125.2390	0.000	1	125.2390	0.000	1	125.0320	0.086	2	125.0320	0.086	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	125.9010	0.000	1	125.9010	0.000	1	125.9010	0.000	1	120.2803	6.421	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	119.5725	0.078	2	119.5725	0.006	2	119.3435	0.333	6	120.2803	6.421	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	119.2290	0.708	4	119.2290	0.501	4	119.3435	0.333	6	120.2803	6.421	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	125.9153	0.274	3	125.9153	0.075	3	125.9153	0.075	3	125.9153	0.075	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,5|H<1>}	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	117.7187	2.168	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	117.7187	2.168	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2{1|C<3>,1|C<4>,4|H<1>}	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	117.7187	2.168	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	125.6300	0.000	1	125.6300	0.000	1	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	126.0110	0.000	1	123.6868	7.874	4	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	124.6510	0.000	1	123.6868	7.874	4	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	124.4800	0.000	1	123.6868	7.874	4	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	119.6050	0.000	1	123.6868	7.874	4	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	125.1780	0.932	2	125.1780	0.869	2	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	124.2580	0.000	1	124.2580	0.000	1	124.3739	4.180	8	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|S<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	124.2740	0.408	3	124.2740	0.167	3	124.2740	0.167	3	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	118.4553	6.108	3	118.4553	37.309	3	121.1892	32.670	5	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	125.2900	0.082	2	125.2900	0.007	2	121.1892	32.670	5	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O){7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.0165	1.423	2	120.0165	2.026	2	120.0165	2.026	2	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	115.3005	0.313	2	115.3005	0.098	2	115.3005	0.098	2	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	117.6975	0.310	4	117.6975	0.096	4	117.7736	0.101	5	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	118.0780	0.000	1	118.0780	0.000	1	117.7736	0.101	5	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<4>,2|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.5770	0.199	2	116.5770	0.040	2	116.5770	0.040	2	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	116.1670	0.000	1	116.1670	0.000	1	116.1670	0.000	1	120.8065	17.283	28	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|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>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2{2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	121.1810	0.000	1	121.1810	0.000	1	124.5190	3.540	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H){5|C<4>,6|H<1>}	125.4560	0.000	1	125.4560	0.000	1	124.5190	3.540	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	125.1290	0.000	2	125.3193	0.109	3	124.5190	3.540	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){5|C<4>,5|H<1>}	125.7000	0.000	1	125.3193	0.109	3	124.5190	3.540	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	126.6490	0.000	1	126.6490	0.000	1	122.8998	10.873	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	124.5070	0.113	2	124.5070	0.013	2	122.8998	10.873	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	119.4180	0.112	2	119.4180	0.012	2	122.8998	10.873	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	123.4815	0.571	4	123.4815	0.326	4	122.8692	2.119	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	120.4200	0.000	1	120.4200	0.000	1	122.8692	2.119	5	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O){1|O<1>,2|H<1>,5|C<4>}	123.4270	0.000	1	123.4270	0.000	1	123.4270	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	124.9750	0.000	1	124.4800	0.490	2	124.4800	0.490	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{2|O<2>,3|C<4>,4|H<1>}	123.9850	0.000	1	124.4800	0.490	2	124.4800	0.490	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	123.5830	0.007	2	123.5830	0.000	2	123.5830	0.000	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	125.4580	1.493	2	125.4580	2.230	2	125.5893	1.167	3	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	125.8520	0.000	1	125.8520	0.000	1	125.5893	1.167	3	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<2>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	124.8980	0.229	2	124.8980	0.052	2	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	124.3690	0.000	1	124.3690	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<2>,3|C<4>,5|H<1>}	123.3530	0.000	1	123.3530	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	125.7940	0.000	1	125.7940	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	124.7550	0.000	1	124.7550	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){5|C<4>,5|H<1>}	124.0610	0.000	1	124.0610	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	123.8518	0.788	5	123.8518	0.621	5	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{4|H<1>,5|C<4>}	124.2810	0.000	1	124.2810	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	125.5390	0.000	1	125.5390	0.000	1	124.3719	0.701	14	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	123.7910	0.000	1	123.7910	0.000	1	124.5185	1.059	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2{4|C<4>,4|H<1>}	125.2460	0.000	1	125.2460	0.000	1	124.5185	1.059	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](C[6,6]C[4,6,6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	124.0265	0.127	2	124.0265	0.016	2	124.0265	0.016	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	124.6730	0.000	1	124.6730	0.000	1	125.0540	0.290	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	125.4350	0.000	1	125.4350	0.000	1	125.0540	0.290	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	116.0290	0.000	1	116.0290	0.000	1	116.0290	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	119.6550	0.000	1	119.6550	0.000	1	120.2955	0.850	4	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	119.5430	0.000	1	120.5090	1.001	3	120.2955	0.850	4	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	120.4430	0.000	1	120.5090	1.001	3	120.2955	0.850	4	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	121.5410	0.000	1	120.5090	1.001	3	120.2955	0.850	4	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	113.8310	0.000	1	114.9570	4.534	3	114.9570	4.534	3	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	115.5200	2.677	2	114.9570	4.534	3	114.9570	4.534	3	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	117.3460	0.000	1	117.3460	0.000	1	117.3460	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	116.5550	0.276	2	117.2567	1.679	7	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	118.0273	0.922	3	117.2567	1.679	7	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.2030	0.000	1	117.2567	1.679	7	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	118.4020	0.000	1	117.2567	1.679	7	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	118.6310	0.298	2	118.8564	0.489	8	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	118.9957	0.558	3	118.8564	0.489	8	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	119.5440	0.000	1	118.8564	0.489	8	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	118.5290	1.365	2	118.8564	0.489	8	118.1099	1.646	15	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.5770	0.000	1	122.5770	0.000	1	122.5770	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	115.1020	0.000	1	115.1020	0.000	1	115.6675	0.640	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	116.2330	0.000	1	116.2330	0.000	1	115.6675	0.640	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	118.7220	0.000	1	118.7220	0.000	1	120.6655	7.554	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	122.6090	0.000	1	122.6090	0.000	1	120.6655	7.554	2	121.5798	12.091	75	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	123.9963	0.293	6	123.9963	0.086	6	124.0997	0.146	7	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H){1|O<2>,5|H<1>,8|C<4>}	124.7200	0.000	1	124.7200	0.000	1	124.0997	0.146	7	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[4x6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H){1|O<2>,5|H<1>,9|C<4>}	124.7790	0.000	1	124.7790	0.000	1	124.7790	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	125.3430	0.000	1	125.3430	0.000	1	125.3430	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){11|H<1>,1|C<3>,4|C<4>}	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	124.3490	0.000	1	124.3490	0.000	1	124.3490	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	125.9890	0.000	1	126.3937	0.128	3	123.5756	15.083	5	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	126.6710	0.000	1	126.3937	0.128	3	123.5756	15.083	5	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	126.5210	0.000	1	126.3937	0.128	3	123.5756	15.083	5	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,8|H<1>}	119.3485	0.718	2	119.3485	0.515	2	123.5756	15.083	5	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	125.7700	0.000	1	125.7700	0.000	1	120.3675	13.439	4	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	117.7260	0.000	1	117.7260	0.000	1	120.3675	13.439	4	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	118.5750	0.000	1	118.5750	0.000	1	120.3675	13.439	4	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	119.3990	0.000	1	119.3990	0.000	1	120.3675	13.439	4	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	124.0390	0.000	1	123.7480	0.169	2	123.7480	0.169	2	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	123.4570	0.000	1	123.7480	0.169	2	123.7480	0.169	2	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	125.3580	0.000	1	125.3580	0.000	1	125.3580	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	123.7190	0.000	1	123.7190	0.000	1	123.7190	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,6|C<4>,6|H<1>}	124.1940	0.000	1	124.1010	0.017	2	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	124.0080	0.000	1	124.1010	0.017	2	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	125.0327	0.714	8	124.8086	0.523	12	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	123.8900	0.000	1	124.8086	0.523	12	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	124.5170	0.586	3	124.8086	0.523	12	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	125.8800	0.000	1	125.9685	0.027	4	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	125.9980	0.188	3	125.9685	0.027	4	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	122.9140	0.000	1	122.9140	0.000	1	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	123.9120	0.581	2	123.9400	0.171	3	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	123.9960	0.000	1	123.9400	0.171	3	124.7506	0.874	22	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	125.1490	0.536	2	125.1490	0.287	2	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	125.4210	0.000	1	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	126.2500	0.000	1	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|H<1>,8|C<4>}	126.4090	0.000	1	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	126.4985	0.326	2	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	126.0690	0.000	1	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	125.8650	0.000	1	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	126.4015	0.457	4	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	125.9963	0.501	9	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	126.0849	0.348	8	126.1165	0.185	28	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	122.1930	0.000	1	121.2074	0.378	5	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){5|C<4>,8|H<1>}	120.9610	0.315	4	121.2074	0.378	5	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	124.8260	0.000	1	124.8260	0.000	1	125.3451	3.126	36	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.1920	0.000	1	125.1920	0.000	1	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	124.9320	0.593	2	124.9320	0.351	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.3595	0.863	2	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	124.6630	0.000	1	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.5010	0.000	1	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	124.3210	0.000	1	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,6|H<1>}	125.2703	0.383	3	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	125.6428	0.258	4	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,3|C<4>,6|H<1>}	125.0390	0.361	6	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,6|H<1>}	124.7720	0.580	3	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	124.9537	0.444	6	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	124.5900	0.055	2	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.1112	0.721	103	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	124.8480	0.109	2	125.0984	0.452	134	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|N<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	124.9395	0.291	2	124.9395	0.084	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	124.9490	0.000	1	124.9490	0.000	1	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	124.9324	0.450	8	124.8937	0.191	9	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	124.5840	0.000	1	124.8937	0.191	9	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H){4|H<1>,6|C<4>}	126.0230	0.000	1	126.0230	0.000	1	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	126.0640	0.000	1	125.4255	0.495	4	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.2127	0.686	3	125.4255	0.495	4	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	125.7070	0.000	1	125.1120	0.708	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	124.5170	0.000	1	125.1120	0.708	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	125.2890	0.000	1	125.2890	0.000	1	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	124.9010	0.000	1	124.9010	0.000	1	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	125.4220	0.069	2	125.4220	0.005	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	126.3670	0.000	1	125.8230	0.592	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	125.2790	0.000	1	125.8230	0.592	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<2>,4|H<1>,5|C<4>}	124.1600	0.375	2	124.1600	0.140	2	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	125.0030	0.000	1	125.0030	0.000	1	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	125.3100	0.000	1	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	125.0460	0.156	2	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	125.3000	0.000	1	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	124.9850	0.085	2	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	123.7040	2.025	2	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	124.2430	0.000	1	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	123.8960	0.000	1	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	124.0420	0.000	1	124.5692	0.835	11	125.0644	0.464	176	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	126.9420	0.544	2	126.9420	0.296	2	125.9157	3.308	3	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	123.8630	0.000	1	123.8630	0.000	1	125.9157	3.308	3	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	124.9283	1.687	263	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:2:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6,6]-2:C[6]-3:	C[6](C[6,6]O[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]O[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	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>}	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O){1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H){4|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	125.5540	0.000	1	125.5540	0.000	1	125.5540	0.000	1	125.3929	0.677	14	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	124.3100	0.000	1	124.3100	0.000	1	124.3100	0.000	1	125.3929	0.677	14	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H){1|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	125.2430	0.478	4	125.2430	0.229	4	125.2430	0.229	4	125.3929	0.677	14	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,4|H<1>,8|C<4>}	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	125.3929	0.677	14	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	125.1983	0.661	6	125.1983	0.437	6	125.3279	0.482	7	125.3929	0.677	14	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	126.1050	0.000	1	126.1050	0.000	1	125.3279	0.482	7	125.3929	0.677	14	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:3:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:B[5]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]B[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]B[5]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|B<3>,2|C<4>,3|C<3>,5|H<1>}	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:3:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-3:N[6]-3:	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,4|C<4>,7|H<1>}	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	127.0243	0.427	3	127.0243	0.183	3	127.0243	0.183	3	126.5823	0.904	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:1:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	125.2560	0.000	1	125.2560	0.000	1	125.2560	0.000	1	126.5823	0.904	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.9000	0.202	2	119.9000	0.041	2	119.9000	0.041	2	122.5115	9.120	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	122.5115	9.120	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	124.9830	0.000	1	124.9830	0.000	1	124.9830	0.000	1	122.5115	9.120	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:2:	3:4:3:	C[6,6]-3:C[6]-4:O-1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH)	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O){2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,2|C<4>}	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:4:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H)	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	125.2227	0.269	4	125.2227	0.072	4	125.2227	0.072	4	125.7605	1.004	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:4:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[5]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H)	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H){1|Re<8>,4|H<1>,6|C<4>}	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){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]H){5|C<4>,5|H<1>}	127.6530	0.000	1	127.6530	0.000	1	127.6530	0.000	1	125.7605	1.004	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:1:	4:3:4:4:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2{1|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	126.0190	0.000	1	126.0190	0.000	1	126.0190	0.000	1	125.7605	1.004	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC)	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	126.0670	0.000	1	126.0670	0.000	1	126.0670	0.000	1	126.0670	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	120.9540	10.233	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	120.9540	10.233	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.5360	0.000	1	123.5360	0.000	1	123.6635	0.033	2	120.9540	10.233	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){2|C<4>,6|H<1>}	123.7910	0.000	1	123.7910	0.000	1	123.6635	0.033	2	120.9540	10.233	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	3:4:4:4:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	124.3890	0.314	2	124.3890	0.099	2	124.3890	0.099	2	124.3890	0.099	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	4:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	117.1190	0.000	1	117.1190	0.000	1	117.1190	0.000	1	117.1190	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	122.7415	2.141	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	123.5190	0.000	1	123.5190	0.000	1	121.8630	2.874	3	122.7415	2.141	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	121.0350	1.278	2	121.0350	1.634	2	121.8630	2.874	3	122.7415	2.141	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,2|C<4>,5|H<1>}	123.8360	0.218	2	123.8360	0.047	2	123.8360	0.047	2	122.7415	2.141	6	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:2:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	126.2680	0.564	2	126.2680	0.318	2	126.2680	0.318	2	126.2680	0.318	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|C<3>,2|N<3>,5|H<1>}	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	123.5755	0.218	2	123.5755	0.048	2	123.5755	0.048	2	123.5755	0.048	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:S[6]-2:	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|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>}	114.7350	0.000	1	114.5480	0.028	3	114.5480	0.028	3	115.9285	7.642	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|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>}	114.4950	0.000	1	114.5480	0.028	3	114.5480	0.028	3	115.9285	7.642	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	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>}	114.4140	0.000	1	114.5480	0.028	3	114.5480	0.028	3	115.9285	7.642	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	115.9285	7.642	4	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]Ir)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]Ir){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	116.7843	0.533	7	116.7843	0.284	7	116.7297	0.248	9	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CIrC)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CIrC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	116.5385	0.431	2	116.5385	0.185	2	116.7297	0.248	9	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	116.5430	0.000	1	116.2780	0.241	3	116.7535	1.065	4	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.1455	0.613	2	116.2780	0.241	3	116.7535	1.065	4	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	118.1800	0.000	1	118.1800	0.000	1	116.7535	1.065	4	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	116.0530	0.000	1	116.0530	0.000	1	116.0530	0.000	1	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:C[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.0085	0.565	2	120.0085	0.319	2	120.0085	0.319	2	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	117.4880	0.000	1	117.4880	0.000	1	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	116.6626	0.579	7	116.7002	0.299	10	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	116.4645	0.118	2	116.7002	0.299	10	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	117.4350	0.000	1	116.7002	0.299	10	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	117.5803	0.869	3	116.8317	1.051	6	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	116.0830	0.436	3	116.8317	1.051	6	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuH)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	119.6930	0.000	1	119.6930	0.000	1	116.9541	0.969	18	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Co)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Co){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	116.6450	0.000	1	116.6450	0.000	1	117.3773	0.651	8	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	117.7175	0.568	6	117.7175	0.323	6	117.3773	0.651	8	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	116.0680	0.000	1	116.0680	0.000	1	117.3773	0.651	8	117.1661	1.365	43	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	124.1820	0.000	1	124.1820	0.000	1	124.1820	0.000	1	124.1820	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Co)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Co){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N){2|C<3>,3|C<4>,3|H<1>}	115.2440	0.000	1	115.2440	0.000	1	115.6240	0.225	3	115.6240	0.225	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Ni)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,3|C<4>,4|H<1>}	115.8140	0.484	2	115.8140	0.234	2	115.6240	0.225	3	115.6240	0.225	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:S-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(SCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(SCO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S){2|C<4>,3|C<3>,6|H<1>}	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	115.4530	0.000	1	115.2385	0.092	2	115.2385	0.092	2	115.2385	0.092	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.0240	0.000	1	115.2385	0.092	2	115.2385	0.092	2	115.2385	0.092	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH){2|C<4>,4|C<3>,6|H<1>}	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	117.3145	5.629	8	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	116.3120	0.000	1	116.3120	0.000	1	116.4941	0.286	7	117.3145	5.629	8	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	117.2840	0.000	1	117.2840	0.000	1	116.4941	0.286	7	117.3145	5.629	8	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	116.5633	0.293	4	116.3726	0.246	5	116.4941	0.286	7	117.3145	5.629	8	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	115.6100	0.000	1	116.3726	0.246	5	116.4941	0.286	7	117.3145	5.629	8	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:4:1:	4:3:3:	C[6,6]-3:C[6]-4:C-3:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H)	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	116.7275	0.145	2	116.7275	0.021	2	116.7275	0.021	2	116.7275	0.021	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	116.6740	0.000	1	116.6740	0.000	1	118.0393	1.416	3	118.0393	1.416	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:3:	4:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	118.7220	0.187	2	118.7220	0.035	2	118.0393	1.416	3	118.0393	1.416	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:2:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2{1|O<2>,2|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|O<2>,8|H<1>}	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	118.7665	0.327	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:2:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2{2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.7665	0.327	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:3:3:1:	4:3:2:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	121.3220	0.072	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	121.3220	0.072	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	122.5250	0.000	1	122.2845	0.116	2	122.2845	0.116	2	122.2845	0.116	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	122.0440	0.000	1	122.2845	0.116	2	122.2845	0.116	2	122.2845	0.116	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	122.4820	0.000	1	122.4820	0.000	1	122.2900	0.074	2	122.2900	0.074	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:2:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	122.0980	0.000	1	122.0980	0.000	1	122.2900	0.074	2	122.2900	0.074	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:3:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	122.6685	1.013	2	122.6685	1.027	2	122.6685	1.027	2	122.6685	1.027	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:4:1:	4:2:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){1|H<1>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	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>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	3:4:4:4:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	122.8110	0.000	2	122.8110	0.000	2	122.8110	0.000	2	122.8110	0.000	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|C<4>,9|H<1>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	116.7285	0.107	2	116.7285	0.011	2	116.7285	0.011	2	120.7493	7.822	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	122.3685	0.508	2	122.3576	0.414	5	122.3576	0.414	5	120.7493	7.822	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	122.8060	0.387	2	122.3576	0.414	5	122.3576	0.414	5	120.7493	7.822	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	121.4390	0.000	1	122.3576	0.414	5	122.3576	0.414	5	120.7493	7.822	7	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	3:4:4:	4:3:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H){2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:2:	C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	117.0550	0.000	1	117.1230	0.009	2	117.1230	0.009	2	117.1230	0.009	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:2:	C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	117.1910	0.000	1	117.1230	0.009	2	117.1230	0.009	2	117.1230	0.009	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.2800	0.000	2	121.2800	0.000	2	121.2800	0.000	2	121.2800	0.000	2	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6,6]-3:C-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:3:	C[6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO){1|C<4>,2|H<1>,2|S<2>,4|C<3>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	122.5760	0.000	1	122.5760	0.000	1	122.5760	0.000	1	122.5760	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:3:	4:3:3:1:	4:4:3:	C[6]-4:C[6,6]-3:C-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	117.6970	0.200	3	117.6970	0.040	3	117.6970	0.040	3	117.6970	0.040	3	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6,6]	4:3:4:	3:4:4:4:	3:2:3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	121.1595	13.149	1151	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:2:4:	3:3:2:1:	3:2:4:	C[6]-3:N[6]-2:C[6]-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-2:C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.0647	0.881	3	118.0647	0.776	3	118.3093	0.757	4	118.3093	0.757	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:2:4:	3:3:2:1:	3:2:4:	C[6]-3:N[6]-2:C[6]-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-2:C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.0430	0.000	1	119.0430	0.000	1	118.3093	0.757	4	118.3093	0.757	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[5a]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:2:1:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3){2|H<1>,2|O<2>,4|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:2:1:1:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	120.6840	0.585	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:2:1:1:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,6|C<3>,6|H<1>}	121.5660	0.000	1	120.9240	0.824	2	120.9240	0.824	2	120.6840	0.585	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:2:1:1:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	120.2820	0.000	1	120.9240	0.824	2	120.9240	0.824	2	120.6840	0.585	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:2:4:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|O<1>,4|C<3>}	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,4|H<1>,5|C<3>}	122.2530	0.482	2	122.2530	0.233	2	122.2530	0.233	2	122.2530	0.233	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	117.4590	0.753	3	117.4590	0.567	3	117.4590	0.567	3	117.4590	0.567	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:3:4:2:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.3535	0.048	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	119.3535	0.048	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	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>}	120.0140	0.000	1	120.0140	0.000	1	120.0140	0.000	1	120.0140	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	123.1140	0.000	1	123.1140	0.000	1	121.4040	5.848	2	121.4040	5.848	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	119.6940	0.000	1	119.6940	0.000	1	121.4040	5.848	2	121.4040	5.848	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[5]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	113.6930	0.000	1	113.6930	0.000	1	113.6930	0.000	1	120.0076	15.566	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	120.0076	15.566	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[5]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-4:	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	120.0076	15.566	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	121.9845	0.192	4	121.9845	0.037	4	121.9160	0.051	5	120.0076	15.566	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	121.6420	0.000	1	121.6420	0.000	1	121.9160	0.051	5	120.0076	15.566	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.5020	0.000	1	121.5020	0.000	1	122.4930	1.964	2	122.4930	1.964	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|Si<4>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	123.4840	0.000	1	123.4840	0.000	1	122.4930	1.964	2	122.4930	1.964	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	4:3:2:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC){2|C<4>,3|H<1>,4|C<3>}	117.9505	1.807	2	117.9505	3.264	2	117.9505	3.264	2	117.9505	3.264	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:2:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){5|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	119.1972	0.420	4	119.1972	0.177	4	119.1972	0.177	4	119.1972	0.177	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|H<1>,6|C<3>}	123.6750	0.000	1	123.6750	0.000	1	123.5875	0.015	2	123.5875	0.015	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|H<1>,6|C<3>}	123.5000	0.000	1	123.5000	0.000	1	123.5875	0.015	2	123.5875	0.015	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	123.8180	0.000	1	123.8180	0.000	1	123.6635	0.048	2	123.6845	0.027	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	123.5090	0.000	1	123.5090	0.000	1	123.6635	0.048	2	123.6845	0.027	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	123.7055	0.177	2	123.7055	0.032	2	123.7055	0.032	2	123.6845	0.027	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	118.2687	2.103	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	116.6820	0.000	1	116.6820	0.000	1	118.1035	4.041	2	118.2687	2.103	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	119.5250	0.000	1	119.5250	0.000	1	118.1035	4.041	2	118.2687	2.103	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,4|C<3>,4|H<1>}	119.3500	0.000	1	119.3500	0.000	1	119.3500	0.000	1	119.3500	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2{1|C<4>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6])	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	124.1220	0.000	1	124.1220	0.000	1	124.1220	0.000	1	124.1220	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:3:4:	4:3:4:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	117.2920	1.987	2	117.2920	3.948	2	117.2920	3.948	2	117.1717	2.017	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O){2|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	117.1717	2.017	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	3:3:2:	C[6]-3:C[6]-4:I-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:Se-2:	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a])	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{1|Se<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a]){1|O<2>,2|C<3>,3|H<1>}	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.2940	0.247	2	119.2940	0.061	2	119.2940	0.061	2	119.0872	5.557	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:I-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(I)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(I){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I){1|O<2>,4|C<3>,5|H<1>}	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	119.0872	5.557	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|N<3>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	117.0430	0.467	2	117.0430	0.218	2	117.0430	0.218	2	119.0872	5.557	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	122.8103	0.050	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	123.0680	0.000	1	123.0680	0.000	1	122.8625	0.084	2	122.8103	0.050	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.8625	0.084	2	122.8103	0.050	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	123.8825	1.633	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	123.8825	1.633	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	124.4100	0.000	1	124.4100	0.000	1	124.4100	0.000	1	124.4100	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:2:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|O<2>,4|C<3>,4|H<1>}	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	121.7110	0.000	1	121.7110	0.000	1	121.7110	0.000	1	121.7110	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:3:2:	3:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<3>}	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:3:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CN)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O){2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	115.2295	0.401	2	115.2295	0.161	2	115.2295	0.161	2	115.2295	0.161	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	123.6320	0.000	1	123.3050	0.214	2	123.2930	0.107	3	123.2930	0.107	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	122.9780	0.000	1	123.3050	0.214	2	123.2930	0.107	3	123.2930	0.107	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2690	0.000	1	123.2690	0.000	1	123.2930	0.107	3	123.2930	0.107	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:2:	3:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:O-2:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H){1|C<4>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	123.2735	1.170	2	123.2735	1.370	2	123.2735	1.370	2	123.2735	1.370	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-3:	C[5a,6]-3:C[6]-3:C-3:	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO)	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H){1|C<3>,1|S<2>}	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>}	121.4120	0.000	1	121.4120	0.000	1	121.4120	0.000	1	121.4120	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){1|C<3>,1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|C<3>,1|O<2>,4|C<4>}	120.8560	0.000	1	120.8560	0.000	1	121.1483	0.195	3	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|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](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	121.6560	0.000	1	121.2945	0.261	2	121.1483	0.195	3	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|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](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>}	120.9330	0.000	1	121.2945	0.261	2	121.1483	0.195	3	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.8520	0.000	1	118.8520	0.000	1	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2360	0.000	1	122.2360	0.000	1	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	120.5168	1.095	11	120.5168	1.199	11	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	120.8897	1.225	6	120.8897	1.501	6	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	121.2360	0.000	1	121.6414	0.992	41	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.3881	0.953	8	121.6414	0.992	41	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	120.2070	0.000	1	121.6414	0.992	41	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	121.6920	0.000	1	121.6414	0.992	41	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	121.7686	1.019	30	121.6414	0.992	41	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	119.6950	0.000	1	121.2993	1.202	16	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	121.8080	1.352	4	121.2993	1.202	16	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	121.2602	0.945	11	121.2993	1.202	16	121.3184	1.288	76	121.3119	1.244	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:4:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	124.4245	6.549	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:4:	C[6]-3:C[6]-4:H-1:	S[6]-2:C[6]-3:C-4:C-4:	N[6,6a]-3:C[6]-3:C-4:	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H)	C[6](S[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|N<2>,1|N<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	126.2340	0.000	1	126.2340	0.000	1	126.2340	0.000	1	124.4245	6.549	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:2:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|C<3>,4|H<1>}	123.8350	0.000	1	123.8350	0.000	1	123.8350	0.000	1	123.8350	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:2:3:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	121.7205	1.526	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:2:3:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	121.7205	1.526	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:2:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	125.2760	0.000	1	125.2760	0.000	1	124.6920	0.682	2	124.6920	0.682	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:2:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	124.1080	0.000	1	124.1080	0.000	1	124.6920	0.682	2	124.6920	0.682	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:2:4:4:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2{1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:Br-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(Br)	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(Br){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,3|H<1>}	122.2640	0.000	1	122.2640	0.000	1	122.2640	0.000	1	121.0962	0.688	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	121.0962	0.688	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	121.0962	0.688	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]Cl)(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]HH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|Cl<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	121.0962	0.688	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.3805	0.170	2	121.3805	0.029	2	121.3805	0.029	2	121.0962	0.688	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	124.2660	0.000	1	124.2660	0.000	1	124.2660	0.000	1	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,4|H<1>}	123.2710	0.000	1	123.2710	0.000	1	123.2710	0.000	1	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|C<3>,5|H<1>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.3000	0.513	2	121.3000	0.264	2	121.3000	0.264	2	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	121.6947	0.657	3	121.5547	0.366	4	121.5547	0.366	4	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	121.1350	0.000	1	121.5547	0.366	4	121.5547	0.366	4	122.1643	1.067	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[5]-3:N[6]-4:C[6]-3:	C[6](C[6]N[5]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[5]C[5]N[5])(N[6]C[6]RuB)(C[6]C[6]H)	C[6](C[6]N[5]N[6])(C[6]C[6]HH)(H){1|Ru<7>,1|B<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|N<3>,1|N<4>}	C[6](N[5]C[5]N[5])(N[6]C[6]RuB)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	121.7950	0.000	1	121.7950	0.000	1	124.1214	2.903	5	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	123.7540	0.000	1	123.7540	0.000	1	124.1214	2.903	5	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,5|H<1>}	123.5290	0.000	1	123.5290	0.000	1	124.1214	2.903	5	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	126.1600	0.000	1	125.7645	0.313	2	124.1214	2.903	5	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	125.3690	0.000	1	125.7645	0.313	2	124.1214	2.903	5	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[5]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	123.3980	0.000	1	123.3980	0.000	1	123.3980	0.000	1	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	122.3874	0.290	5	122.3874	0.084	5	122.3874	0.084	5	123.1158	2.047	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,4|H<1>}	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.2010	0.000	1	123.2010	0.000	1	123.2010	0.000	1	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	123.3440	0.000	1	123.3440	0.000	1	121.6367	7.499	3	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	118.4780	0.000	1	118.4780	0.000	1	121.6367	7.499	3	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	123.0880	0.000	1	123.0880	0.000	1	121.6367	7.499	3	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[5,5,6]C[3x5,6]C[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H){4|C<4>}	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[3x5,6]C[5]2)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	123.0745	0.913	2	123.0745	0.833	2	123.0745	0.833	2	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]H)(C[6]N[6,6]HH)(H){4|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<4>,5|H<1>}	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6,6]H)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[4,6,6]H)(C[6]N[6,6]HH)(H){4|C<4>}	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	123.5130	0.000	1	123.5130	0.000	1	123.5130	0.000	1	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]N[6]HH)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]H)(C[6]N[6]HH)(H){1|C<3>,3|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<3>,5|H<1>}	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	122.5630	0.000	1	122.5630	0.000	1	122.5630	0.000	1	122.5541	5.651	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]H)2{1|C<3>,3|C<4>,4|H<1>}	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	123.0580	6.766	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.0580	6.766	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|Si<3>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	125.4010	0.000	1	125.4010	0.000	1	125.4010	0.000	1	123.0580	6.766	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	Ga[6]-4:C[6]-3:Si-4:	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H)2{1|Ga<4>,2|Si<4>}	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	130.6850	0.717	2	130.6850	0.514	2	130.6850	0.514	2	131.4818	1.152	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	In[6]-4:C[6]-3:Si-4:	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2	C[6](In[6]C[6]N[6]C)(C[6]C[6]H)(SiC3)	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H)2{1|In<4>,2|Si<4>}	C[6](In[6]C[6]N[6]C)(C[6]C[6]H)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	132.2785	0.636	2	132.2785	0.404	2	132.2785	0.404	2	131.4818	1.152	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	122.4220	0.000	1	122.4220	0.000	1	120.7813	2.452	3	120.7813	2.452	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	119.9610	0.931	2	119.9610	0.866	2	120.7813	2.452	3	120.7813	2.452	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:2:2:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]OO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]OO)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>}	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:2:2:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]OO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]OO)(H){2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	126.6563	0.189	3	126.6563	0.036	3	126.6563	0.036	3	126.6563	0.036	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]ClC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]ClC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	121.8310	0.000	1	121.8310	0.000	1	121.8310	0.000	1	120.5065	3.509	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:N-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	119.1820	0.000	1	119.1820	0.000	1	119.1820	0.000	1	120.5065	3.509	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H){1|O<2>,1|S<4>,5|C<3>}	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	121.6460	0.000	1	121.6460	0.000	1	121.6460	0.000	1	121.6460	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	126.1640	0.000	1	126.1160	0.131	4	126.1160	0.131	4	126.1160	0.131	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	126.3830	0.000	1	126.1160	0.131	4	126.1160	0.131	4	126.1160	0.131	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	125.9585	0.518	2	126.1160	0.131	4	126.1160	0.131	4	126.1160	0.131	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H){1|H<1>,8|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	124.9770	0.000	1	124.9770	0.000	1	123.0890	2.060	4	123.0890	2.060	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H)	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H){1|P<4>,8|C<3>}	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	122.7680	0.925	2	122.7680	0.855	2	123.0890	2.060	4	123.0890	2.060	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H){1|S<4>,8|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	121.8430	0.000	1	121.8430	0.000	1	123.0890	2.060	4	123.0890	2.060	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]N[6]C)(H){1|Fe<5>,1|N<2>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.3360	1.154	2	120.3360	1.332	2	120.3360	1.332	2	121.6887	1.635	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	122.2240	0.747	3	122.3650	0.452	4	122.3650	0.452	4	121.6887	1.635	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:3:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	122.7880	0.000	1	122.3650	0.452	4	122.3650	0.452	4	121.6887	1.635	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:2:3:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	123.0680	0.000	1	123.0680	0.000	1	123.0680	0.000	1	123.0680	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HP)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HP)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|P<4>,2|H<1>,3|C<3>}	122.5460	0.000	1	122.5460	0.000	1	122.5460	0.000	1	121.2244	1.462	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	121.9380	0.465	2	121.9380	0.216	2	121.9380	0.216	2	121.2244	1.462	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6827	0.618	3	120.6827	0.382	3	120.7663	1.491	6	121.2244	1.462	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){1|Re<6>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8575	0.861	2	119.8575	0.741	2	120.7663	1.491	6	121.2244	1.462	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){1|Re<6>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.8350	0.000	1	122.8350	0.000	1	120.7663	1.491	6	121.2244	1.462	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.2105	0.325	2	122.7883	0.282	4	122.7883	0.282	4	122.7883	0.282	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.3660	0.168	2	122.7883	0.282	4	122.7883	0.282	4	122.7883	0.282	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	123.8995	13.776	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.5240	0.000	1	126.5240	0.000	1	126.5240	0.000	1	123.8995	13.776	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	125.6140	0.000	1	125.5110	0.023	3	125.5110	0.023	3	123.7856	5.568	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	125.4595	0.176	2	125.5110	0.023	3	125.5110	0.023	3	123.7856	5.568	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.4290	0.131	2	123.7856	5.568	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	120.6850	0.000	1	120.6850	0.000	1	120.4290	0.131	2	123.7856	5.568	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	125.0960	0.000	1	125.0960	0.000	1	124.5540	0.588	2	123.7856	5.568	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	124.0120	0.000	1	124.0120	0.000	1	124.5540	0.588	2	123.7856	5.568	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	116.2947	0.744	8	116.2662	0.492	9	116.2662	0.492	9	116.2662	0.492	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.0380	0.000	1	116.2662	0.492	9	116.2662	0.492	9	116.2662	0.492	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O){1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]H)2(CCHH)(OC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCHH)(OC){1|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	117.6695	0.248	4	117.6695	0.062	4	122.0198	10.419	12	122.0198	10.419	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)2(CH3)(OH){1|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	124.1949	0.354	8	124.1949	0.126	8	122.0198	10.419	12	122.0198	10.419	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.1032	0.663	5	122.2440	0.367	7	122.2440	0.367	7	122.2440	0.367	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	122.8160	0.000	1	122.2440	0.367	7	122.2440	0.367	7	122.2440	0.367	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:3:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<4>,3|C<3>}	122.3760	0.000	1	122.2440	0.367	7	122.2440	0.367	7	122.2440	0.367	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]CC)(H)	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]CC)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|C<4>,4|C<3>,4|H<1>}	127.5240	0.000	1	127.5240	0.000	1	127.5240	0.000	1	127.7953	8.212	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:S[6]-3:	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3){1|S<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	128.8165	0.667	8	128.8165	0.444	8	128.8165	0.444	8	127.7953	8.212	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O){1|C<3>,5|C<4>}	119.8970	0.000	1	119.8970	0.000	1	119.8970	0.000	1	127.7953	8.212	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:4:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.4050	1.246	2	124.4050	1.552	2	124.4050	1.552	2	123.4680	3.410	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	123.4680	3.410	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:4:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	127.2130	0.000	1	127.2130	0.000	1	126.5543	0.386	3	126.5543	0.386	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:4:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	126.4720	0.000	1	126.4720	0.000	1	126.5543	0.386	3	126.5543	0.386	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	3:4:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	125.9780	0.000	1	125.9780	0.000	1	126.5543	0.386	3	126.5543	0.386	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	122.8120	0.062	2	122.8120	0.004	2	122.3413	0.667	3	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.4000	0.000	1	121.4000	0.000	1	122.3413	0.667	3	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){2|H<1>,5|C<4>}	123.2500	0.000	1	123.2500	0.000	1	122.8770	0.278	2	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	122.5040	0.000	1	122.5040	0.000	1	122.8770	0.278	2	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2240	0.000	1	121.2240	0.000	1	120.8368	0.261	6	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5593	0.480	3	120.5593	0.231	3	120.8368	0.261	6	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6340	0.000	1	120.6340	0.000	1	120.8368	0.261	6	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4850	0.000	1	121.4850	0.000	1	120.8368	0.261	6	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	122.7240	0.000	1	122.7240	0.000	1	122.7240	0.000	1	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1615	0.035	2	122.1615	0.001	2	122.1615	0.001	2	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2	C[6](C[4,6,6]C[4,3x6]C[4,6,6])(C[6]C[6]O)(H)	C[6](C[6]C[4,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6,6]C[4,3x6]C[4,6,6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	117.3190	0.652	2	117.3190	0.425	2	117.3190	0.425	2	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]O)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	117.0800	0.000	1	117.0800	0.000	1	117.0800	0.000	1	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	116.8245	0.332	2	117.4953	1.405	3	117.4953	1.405	3	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|S<2>,3|H<1>,4|C<4>}	118.8370	0.000	1	117.4953	1.405	3	117.4953	1.405	3	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	118.2265	0.103	2	118.2265	0.011	2	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	118.4570	0.000	1	118.4570	0.000	1	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	118.0900	0.000	1	118.0900	0.000	1	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.2910	0.000	1	118.2910	0.000	1	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H){3|H<1>,5|C<4>}	116.7570	0.000	1	116.7570	0.000	1	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	117.9150	0.000	1	117.9098	0.146	4	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	117.3740	0.000	1	117.9098	0.146	4	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.1750	0.099	2	117.9098	0.146	4	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	119.0530	0.243	2	119.0530	0.059	2	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	118.8090	0.000	1	118.7650	0.004	2	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	118.7210	0.000	1	118.7650	0.004	2	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	117.9310	0.000	1	117.9310	0.000	1	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|C<4>,2|H<1>,2|O<2>}	118.4520	0.000	1	118.4520	0.000	1	118.2316	0.349	16	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){4|C<4>,4|H<1>}	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	118.2900	0.000	2	118.2900	0.000	2	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	117.1250	0.000	1	116.4390	0.266	5	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	116.3180	0.171	2	116.4390	0.266	5	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	116.2170	0.660	2	116.4390	0.266	5	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	117.1070	0.000	1	117.1070	0.000	1	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	116.6480	0.000	1	117.1177	0.194	3	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	117.3525	0.240	2	117.1177	0.194	3	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,2|H<1>,5|C<4>}	118.6030	0.000	1	117.3540	1.176	3	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<3>,2|H<1>,4|C<4>}	116.7295	0.111	2	117.3540	1.176	3	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	116.9380	0.816	4	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	118.4430	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.9390	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	116.9280	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	116.0460	0.789	5	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	116.2602	1.309	4	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	115.9010	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,2|H<1>,5|C<4>}	117.5290	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	116.9555	1.214	2	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	115.9511	0.830	20	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,3|H<1>,4|C<4>}	117.6490	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	116.4853	0.532	3	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	116.3392	0.767	71	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.1437	0.128	3	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	116.0730	0.648	2	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	117.5750	0.000	1	116.3309	0.685	121	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	118.6150	0.000	1	118.6150	0.000	1	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	118.4150	0.000	1	118.4150	0.000	1	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.9980	0.000	1	115.9108	1.947	4	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	115.2150	0.129	3	115.9108	1.947	4	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	116.5270	0.000	1	116.5270	0.000	1	116.4263	0.810	142	117.0858	3.234	181	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	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>}	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	117.5440	8.931	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC){4|C<4>,4|H<1>}	115.2750	0.000	1	115.2750	0.000	1	115.8510	0.664	2	117.5440	8.931	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){4|C<4>,4|H<1>}	116.4270	0.000	1	116.4270	0.000	1	115.8510	0.664	2	117.5440	8.931	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:Br-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	122.0520	0.000	1	122.0520	0.000	1	122.0520	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	124.5530	0.359	2	124.5530	0.129	2	124.5530	0.129	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6a]-3:N[6,6]-3:C[6]-3:	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	123.7895	0.540	2	123.7895	0.291	2	123.7895	0.291	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	125.0420	0.000	1	125.0420	0.000	1	125.0420	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	122.0980	0.000	1	122.0980	0.000	1	120.8440	3.145	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO){1|C<4>,2|H<1>,3|C<3>}	119.5900	0.000	1	119.5900	0.000	1	120.8440	3.145	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2){3|C<4>,8|H<1>}	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	124.5045	0.865	2	124.5045	0.748	2	122.1407	17.137	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<4>,2|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	117.4130	0.000	1	117.4130	0.000	1	122.1407	17.137	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	126.0700	0.000	1	126.0700	0.000	1	126.0700	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	118.6120	0.000	1	118.6120	0.000	1	117.0983	1.736	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	116.3415	0.187	2	116.3415	0.035	2	117.0983	1.736	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO){3|H<1>,4|C<4>}	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	118.2310	0.000	1	118.2310	0.000	1	118.9657	0.555	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	119.3330	0.547	2	119.3330	0.300	2	118.9657	0.555	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.2570	1.358	2	118.2570	1.843	2	117.2280	4.098	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|S<2>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){2|H<1>,4|C<4>}	115.1700	0.000	1	115.1700	0.000	1	117.2280	4.098	3	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.7000	0.000	1	117.7000	0.000	1	117.9935	0.172	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.2870	0.000	1	118.2870	0.000	1	117.9935	0.172	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	117.2890	0.000	1	117.2890	0.000	1	117.2690	0.001	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.2490	0.000	1	117.2490	0.000	1	117.2690	0.001	2	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O){3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2){3|C<4>,8|H<1>}	117.1000	0.000	1	117.1000	0.000	1	117.1000	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.2240	0.000	1	116.2240	0.000	1	117.3095	1.495	8	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.4980	0.000	1	118.6563	0.019	3	117.3095	1.495	8	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	118.7355	0.012	2	118.6563	0.019	3	117.3095	1.495	8	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	116.8810	0.000	1	116.8810	0.000	1	117.3095	1.495	8	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.7300	0.000	1	116.4673	0.746	3	117.3095	1.495	8	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	116.8360	0.823	2	116.4673	0.746	3	117.3095	1.495	8	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(O)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H){1|O<1>,2|H<1>,3|C<4>}	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	119.7402	10.810	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	124.4200	0.000	1	124.4200	0.000	1	124.8245	0.354	4	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	124.5830	0.000	1	124.5830	0.000	1	124.8245	0.354	4	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	125.7100	0.000	1	125.7100	0.000	1	124.8245	0.354	4	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	124.5850	0.000	1	124.5850	0.000	1	124.8245	0.354	4	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	121.8300	0.062	2	121.8300	0.004	2	121.7110	0.044	3	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.4730	0.000	1	121.4730	0.000	1	121.7110	0.044	3	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	118.4154	0.630	5	118.4154	0.396	5	118.4421	0.254	12	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	117.9510	0.068	2	117.9510	0.005	2	118.4421	0.254	12	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	118.5830	0.000	1	118.6652	0.118	5	118.4421	0.254	12	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	118.6857	0.393	4	118.6652	0.118	5	118.4421	0.254	12	120.3019	7.402	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4]-3:C[6]-4:C[6]-3:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	123.4580	1.030	2	123.4580	1.060	2	123.4580	1.060	2	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	123.7530	0.000	1	123.7530	0.000	1	122.6333	1.495	3	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	121.3290	0.000	1	121.3290	0.000	1	122.6333	1.495	3	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	122.8180	0.000	1	122.8180	0.000	1	122.6333	1.495	3	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	126.1555	0.080	2	126.1555	0.006	2	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	124.8245	0.383	4	124.8245	0.147	4	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	124.6140	0.000	1	124.6140	0.000	1	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	124.0050	0.000	1	124.0050	0.000	1	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	125.2130	0.000	1	125.2130	0.000	1	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	119.3170	0.000	1	119.3170	0.000	1	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	123.1240	0.000	1	123.1240	0.000	1	124.3529	3.564	11	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	120.9760	0.000	1	123.5073	4.946	3	123.5073	4.946	3	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,2|C<3>,2|F<1>,4|H<1>}	124.7730	0.530	2	123.5073	4.946	3	123.5073	4.946	3	123.8551	3.097	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	123.7370	0.668	2	123.7370	0.446	2	123.7370	0.446	2	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]Cl)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]Cl)(H){1|O<2>,3|C<4>,7|H<1>}	126.9100	0.000	1	126.9100	0.000	1	126.9100	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	122.9200	0.402	2	122.7433	0.174	3	122.5657	0.242	4	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	122.3900	0.000	1	122.7433	0.174	3	122.5657	0.242	4	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	122.0330	0.000	1	122.0330	0.000	1	122.5657	0.242	4	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H){4|H<1>,5|C<4>}	123.6640	0.000	1	123.6640	0.000	1	122.8405	1.356	2	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	122.0170	0.000	1	122.0170	0.000	1	122.8405	1.356	2	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[6]-3:O-1:	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]H)(O){1|O<2>,4|C<4>,5|H<1>}	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	115.8120	0.000	1	115.8120	0.000	1	119.2080	23.066	2	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	122.6040	0.000	1	122.6040	0.000	1	119.2080	23.066	2	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[5,3x6]C[5,3x6]C[3x6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]N[5])(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	123.8310	0.000	1	123.8310	0.000	1	123.8310	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.0505	0.996	2	122.0505	0.993	2	123.0220	3.328	3	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	124.9650	0.000	1	124.9650	0.000	1	123.0220	3.328	3	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	124.2650	0.000	1	124.2650	0.000	1	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	124.7930	0.000	1	124.7240	0.018	3	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	124.6895	0.169	2	124.7240	0.018	3	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	126.4715	0.392	2	126.4715	0.154	2	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	124.9340	0.000	1	124.9340	0.000	1	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	123.9930	0.000	1	123.9930	0.000	1	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	123.5500	0.000	1	123.5500	0.000	1	124.8730	1.033	9	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	121.5690	0.000	1	121.5690	0.000	1	122.9036	0.955	5	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br){3|H<1>,4|C<4>}	123.2373	0.729	4	123.2373	0.531	4	122.9036	0.955	5	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9470	0.000	1	123.2375	0.169	2	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.5280	0.000	1	123.2375	0.169	2	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	125.1240	0.000	1	125.1240	0.000	1	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	123.2430	0.000	1	124.2048	0.354	5	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	124.4955	0.120	2	124.2048	0.354	5	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	124.7390	0.000	1	124.2048	0.354	5	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.0510	0.000	1	124.2048	0.354	5	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	123.7620	0.000	1	123.7620	0.000	1	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	124.5507	0.495	3	124.5507	0.245	3	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.9450	0.000	1	122.9450	0.000	1	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<2>,1|S<3>,2|C<4>,4|H<1>}	124.3680	0.367	3	124.3680	0.135	3	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	122.8900	0.000	1	123.8594	0.385	7	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	124.4380	0.000	1	123.8594	0.385	7	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.2030	0.000	1	123.8594	0.385	7	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	124.1450	0.000	1	123.8594	0.385	7	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.9670	0.445	2	123.8594	0.385	7	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	124.4060	0.000	1	123.8594	0.385	7	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	122.9770	0.000	1	122.9770	0.000	1	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	123.9050	0.000	1	123.9050	0.000	1	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	123.9510	0.000	1	123.9510	0.000	1	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	123.8180	0.369	2	123.8180	0.136	2	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	123.9655	0.940	2	123.4267	1.313	3	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	122.3490	0.000	1	123.4267	1.313	3	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	124.1500	1.194	2	124.1500	1.425	2	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	124.3237	0.092	3	124.0034	0.201	8	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	124.0913	0.390	3	124.0034	0.201	8	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	123.3910	0.035	2	124.0034	0.201	8	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.6040	1.073	2	124.6040	1.152	2	123.9857	0.465	43	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:Br-1:	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br){1|C<4>,3|C<3>,3|H<1>}	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl){2|C<3>,3|C<4>,4|H<1>}	122.6550	0.000	1	122.6550	0.000	1	122.6550	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	124.4700	0.000	1	124.4700	0.000	1	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	125.3910	0.000	1	125.3910	0.000	1	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	123.5620	0.000	1	123.8410	0.156	2	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	124.1200	0.000	1	123.8410	0.156	2	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	124.3530	0.175	2	124.3530	0.031	2	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	124.3370	0.538	4	124.3188	0.213	6	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	123.9720	0.000	1	124.3188	0.213	6	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|B<3>,2|C<4>,5|H<1>}	124.5930	0.000	1	124.3188	0.213	6	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	123.9200	0.342	2	124.3000	0.185	6	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	124.4900	0.354	4	124.3000	0.185	6	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.5347	0.676	3	123.5567	0.307	4	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.6230	0.000	1	123.5567	0.307	4	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	123.9310	0.000	1	123.2725	0.221	8	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	122.7470	0.000	1	123.2725	0.221	8	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	123.0323	0.287	4	123.2725	0.221	8	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	123.6865	0.128	2	123.2725	0.221	8	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	123.1470	0.060	3	123.1470	0.004	3	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	124.0570	0.000	1	123.7217	0.178	3	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	123.5540	0.433	2	123.7217	0.178	3	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	124.2810	0.000	1	124.2810	0.000	1	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	123.4270	0.000	1	123.4270	0.000	1	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	121.8450	0.000	1	121.8450	0.000	1	123.8084	0.518	39	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6]O)(O){2|C<3>,4|C<4>,4|H<1>}	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	123.6365	2.719	117	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC){1|C<3>,3|C<4>,4|H<1>}	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	118.8360	12.053	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS){1|O<2>,3|C<4>,4|H<1>}	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	118.8360	12.053	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(NN)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|N<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(NN){4|C<4>,4|H<1>}	115.8510	0.197	2	115.8510	0.039	2	115.8510	0.039	2	118.8360	12.053	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO){4|C<4>,4|H<1>}	125.2680	0.000	1	125.2680	0.000	1	125.2680	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:F-1:	C[6]-4:C[6]-3:F-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F)	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	127.2075	0.295	2	127.2075	0.087	2	127.2075	0.087	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[3x6]C[6a])(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3x6]C[6a])(C[6]C[3x6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,6|H<1>}	125.5150	0.000	1	125.5150	0.000	1	125.5150	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	121.2170	0.000	1	121.2170	0.000	1	122.6620	4.176	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	124.1070	0.000	1	124.1070	0.000	1	122.6620	4.176	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	119.8230	0.000	1	119.8230	0.000	1	123.7624	6.501	5	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	126.0150	0.259	2	126.0150	0.067	2	123.7624	6.501	5	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,5|C<3>}	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	123.4795	0.329	2	123.4795	0.108	2	123.7624	6.501	5	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	125.3440	0.000	1	125.3440	0.000	1	125.3440	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	124.5250	0.164	2	124.5250	0.027	2	124.5250	0.027	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	124.5720	0.000	1	124.5720	0.000	1	124.3497	0.037	3	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	124.2385	0.008	2	124.2385	0.000	2	124.3497	0.037	3	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	124.2775	0.489	2	124.2775	0.239	2	124.6917	0.634	3	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	125.5200	0.000	1	125.5200	0.000	1	124.6917	0.634	3	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<4>,5|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	126.6010	0.000	1	126.6010	0.000	1	125.4000	1.004	6	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	125.3090	0.000	1	125.3090	0.000	1	125.4000	1.004	6	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	125.5925	0.702	2	125.1225	1.087	4	125.4000	1.004	6	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	123.6820	0.000	1	125.1225	1.087	4	125.4000	1.004	6	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	125.6230	0.000	1	125.1225	1.087	4	125.4000	1.004	6	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,3|C<4>,4|H<1>}	125.6890	0.000	1	125.6890	0.000	1	125.8015	0.025	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	125.9140	0.000	1	125.9140	0.000	1	125.8015	0.025	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	123.8195	0.398	2	123.8195	0.158	2	123.8195	0.158	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,4|C<4>,9|H<1>}	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	125.2520	0.000	1	125.2520	0.000	1	125.2520	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<4>,2|C<3>,6|H<1>}	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.6770	0.054	2	117.6770	0.003	2	117.6770	0.003	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	119.0210	0.000	1	119.0210	0.000	1	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	119.6210	0.764	2	119.6210	0.583	2	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	117.0750	0.000	1	117.0750	0.000	1	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.6890	0.000	1	118.6890	0.000	1	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	117.8210	0.000	1	117.8210	0.000	1	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	118.7290	0.191	2	118.7290	0.036	2	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	119.8070	0.259	2	119.8070	0.067	2	118.8920	0.887	10	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO){3|C<4>,5|H<1>}	120.9260	1.697	2	120.9260	2.880	2	120.9260	2.880	2	122.9093	9.483	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[6]-3:C-4:	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H){5|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	125.5273	0.449	3	125.5273	0.202	3	125.5273	0.202	3	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.2665	0.728	2	125.2665	0.529	2	125.2665	0.529	2	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	123.5980	0.000	1	123.5980	0.000	1	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	124.0130	0.000	1	123.8615	0.046	2	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	123.7100	0.000	1	123.8615	0.046	2	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	126.3320	0.000	1	125.2907	0.967	6	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	125.0824	0.940	5	125.2907	0.967	6	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	125.7812	0.578	8	125.7812	0.334	8	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){2|C<3>,4|C<4>,4|H<1>}	124.9590	0.000	1	124.9590	0.000	1	125.2374	0.950	18	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	124.6895	0.961	2	124.6895	0.923	2	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	124.0925	0.674	2	124.0925	0.454	2	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,4|H<1>}	124.8750	0.000	1	124.8750	0.000	1	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	126.0450	0.123	2	125.6569	0.304	9	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	125.5460	0.581	7	125.6569	0.304	9	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO){3|C<4>,5|H<1>}	125.9453	0.686	4	125.9453	0.470	4	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){4|C<4>,4|H<1>}	125.0828	0.282	6	125.0828	0.079	6	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	122.9880	0.074	2	122.9880	0.005	2	125.1387	0.903	26	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:Si-4:	C[6](C[6]C[6,6]Si)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6,6]Si)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3){1|C<4>,3|C<3>,3|H<1>}	127.3200	0.028	2	127.3200	0.001	2	127.3200	0.001	2	125.1536	1.420	53	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,5,5]-4:C[6]-4:C[6]-3:	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	123.3730	0.372	4	123.3730	0.138	4	123.3730	0.138	4	123.8884	1.432	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-3:	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H)	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	125.9500	0.000	1	125.9500	0.000	1	125.9500	0.000	1	123.8884	1.432	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	122.5867	0.310	3	122.5867	0.096	3	122.5867	0.096	3	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.5320	0.000	1	121.5320	0.000	1	121.5320	0.000	1	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5840	0.000	1	120.5840	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.8930	0.000	1	122.8930	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8930	0.000	1	120.8930	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0440	0.000	1	122.0440	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2480	0.000	1	120.2480	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5087	0.167	3	120.5087	0.028	3	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2600	0.000	1	121.2600	0.000	1	120.9614	0.772	10	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	121.0277	2.511	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	121.4060	0.000	1	121.4060	0.000	1	121.4060	0.000	1	121.4060	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	121.9540	0.000	1	121.9540	0.000	1	121.9540	0.000	1	122.0470	0.017	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:4:3:	C[6]-3:C[6]-4:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(I)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(I){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	122.0470	0.017	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	125.6120	0.025	2	125.6120	0.001	2	125.6120	0.001	2	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[3x6]HO)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	122.6950	0.000	1	122.6950	0.000	1	122.6868	0.960	4	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	123.3705	0.230	2	123.3705	0.053	2	122.6868	0.960	4	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	121.3110	0.000	1	121.3110	0.000	1	122.6868	0.960	4	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<4>,4|H<1>}	122.1780	0.000	1	122.1780	0.000	1	122.1780	0.000	1	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[4,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[4,5,6]C[4,5]C[5,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6]H)(C[6]C[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[4,5,6]C[4,5]C[5,6]N[4])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	122.5320	0.000	1	122.5320	0.000	1	122.5320	0.000	1	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[4x6]-4:C[6]-3:H-1:	C[6](C[6]C[4x6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[4x6]H)(C[6]C[6]HO)(H){5|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]H)(H){2|O<2>,4|C<4>,5|H<1>}	124.1610	0.000	1	124.1610	0.000	1	124.1610	0.000	1	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]HO)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<2>,4|C<4>,6|H<1>}	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	124.1870	0.004	2	124.1870	0.000	2	124.1178	0.065	6	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.4440	0.000	1	124.4440	0.000	1	124.1178	0.065	6	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	123.6710	0.000	1	123.9210	0.125	2	124.1178	0.065	6	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	124.1710	0.000	1	123.9210	0.125	2	124.1178	0.065	6	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	124.0470	0.000	1	124.0470	0.000	1	124.1178	0.065	6	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	121.7140	0.045	2	121.7140	0.002	2	122.2740	0.864	4	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	122.8340	1.155	2	122.8340	1.335	2	122.2740	0.864	4	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.8730	0.000	1	123.8730	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	123.1820	0.000	1	123.1820	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	123.2850	0.000	1	123.2850	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.6337	0.999	3	122.6337	0.999	3	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.0870	0.000	1	123.0870	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.3755	0.146	2	123.3755	0.021	2	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	123.3560	0.000	1	123.3560	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	124.3400	0.000	1	124.3400	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>}	123.3520	0.000	1	123.3520	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	124.7120	0.000	1	124.7120	0.000	1	123.3722	0.564	13	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:I-1:	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){2|C<4>,2|H<1>,2|O<2>}	121.4200	0.000	1	121.4200	0.000	1	121.6575	0.113	2	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:I-1:	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){2|C<4>,2|H<1>,2|O<2>}	121.8950	0.000	1	121.8950	0.000	1	121.6575	0.113	2	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.5370	0.000	1	124.5370	0.000	1	123.9860	0.711	5	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.4980	0.000	1	122.4980	0.000	1	123.9860	0.711	5	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<4>}	124.3410	0.000	1	124.3410	0.000	1	123.9860	0.711	5	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.3980	0.000	1	124.3980	0.000	1	123.9860	0.711	5	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	124.1560	0.000	1	124.1560	0.000	1	123.9860	0.711	5	123.3575	1.167	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	124.1310	0.820	2	124.1310	0.673	2	124.1310	0.673	2	123.7770	0.712	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	123.0690	0.000	1	123.0690	0.000	1	123.0690	0.000	1	123.7770	0.712	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	124.7660	0.000	1	124.7660	0.000	1	124.7660	0.000	1	124.3763	0.356	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	124.6740	0.000	1	124.1815	0.485	2	124.1815	0.485	2	124.3763	0.356	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,4|C<4>}	123.6890	0.000	1	124.1815	0.485	2	124.1815	0.485	2	124.3763	0.356	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	4:4:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){2|O<2>,4|H<1>,6|C<4>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	120.8047	0.715	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3330	0.000	1	120.3330	0.000	1	120.4910	0.155	5	120.8047	0.715	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5305	0.443	4	120.5305	0.197	4	120.4910	0.155	5	120.8047	0.715	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.7210	0.000	1	121.7210	0.000	1	121.1710	0.605	2	121.1710	0.605	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.6210	0.000	1	120.6210	0.000	1	121.1710	0.605	2	121.1710	0.605	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.8950	0.000	1	119.8950	0.000	1	119.8950	0.000	1	122.9935	19.201	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,4|C<3>,4|H<1>}	126.0920	0.000	1	126.0920	0.000	1	126.0920	0.000	1	122.9935	19.201	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-3:Cl-1:	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl){2|C<4>,3|H<1>,4|C<3>}	123.9760	0.000	1	123.9760	0.000	1	123.9760	0.000	1	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,3|H<1>,4|C<4>}	125.7580	0.000	1	125.7580	0.000	1	122.0075	28.133	2	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	118.2570	0.000	1	118.2570	0.000	1	122.0075	28.133	2	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	124.3395	0.646	2	124.3395	0.417	2	124.2950	0.155	4	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	124.1070	0.000	1	124.1070	0.000	1	124.2950	0.155	4	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.3940	0.000	1	124.3940	0.000	1	124.2950	0.155	4	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	124.8305	0.325	4	124.8305	0.106	4	124.8305	0.106	4	124.0448	3.994	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	125.5900	0.000	1	125.5900	0.000	1	125.5900	0.000	1	125.5900	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	126.3410	0.000	1	126.3410	0.000	1	126.3410	0.000	1	126.3410	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:2:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:O-2:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:3:3:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(COO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(COO)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	2:3:3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H)	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	124.0220	0.000	1	124.0220	0.000	1	122.6090	3.993	2	122.6090	3.993	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	2:3:3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	121.1960	0.000	1	121.1960	0.000	1	122.6090	3.993	2	122.6090	3.993	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|H<1>,4|C<4>}	124.1420	0.629	5	124.1420	0.395	5	124.1420	0.395	5	121.8903	7.394	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	121.0073	0.061	3	121.8903	7.394	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8080	0.000	1	120.8080	0.000	1	121.0073	0.061	3	121.8903	7.394	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9310	0.000	1	120.9310	0.000	1	121.0073	0.061	3	121.8903	7.394	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	121.8903	7.394	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	121.8903	7.394	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.1180	0.000	1	123.1180	0.000	1	121.9105	2.916	2	121.8227	1.481	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.7030	0.000	1	120.7030	0.000	1	121.9105	2.916	2	121.8227	1.481	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]HP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]HP)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	121.8227	1.481	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	122.3690	0.000	1	122.3690	0.000	1	122.3690	0.000	1	122.0652	12.232	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H){1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.0652	12.232	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	125.7080	0.000	1	125.7080	0.000	1	125.7080	0.000	1	122.0652	12.232	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H){4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|H<1>,4|C<3>}	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	122.0652	12.232	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	125.0980	0.000	1	125.0980	0.000	1	124.3883	0.659	6	124.3883	0.659	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.7700	0.000	1	124.2464	0.672	5	124.3883	0.659	6	124.3883	0.659	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	124.3655	0.895	4	124.2464	0.672	5	124.3883	0.659	6	124.3883	0.659	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|C<4>,4|H<1>}	125.5110	0.000	1	125.9120	0.322	2	125.9120	0.322	2	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|H<1>,4|C<4>}	126.3130	0.000	1	125.9120	0.322	2	125.9120	0.322	2	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	120.8990	0.255	4	120.8990	0.065	4	120.8990	0.065	4	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|O<2>,2|H<1>,3|C<4>}	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.5415	0.416	2	124.5415	0.173	2	124.5338	1.531	6	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	125.3600	0.000	1	125.3600	0.000	1	124.5338	1.531	6	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|Fe<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	122.2770	0.000	1	122.2770	0.000	1	124.5338	1.531	6	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	124.6490	0.000	1	124.6490	0.000	1	124.5338	1.531	6	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	125.8340	0.000	1	125.8340	0.000	1	124.5338	1.531	6	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	125.3610	0.000	1	125.3610	0.000	1	124.7501	0.810	16	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	125.5940	0.000	1	125.5940	0.000	1	124.7501	0.810	16	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	124.4740	0.331	2	125.0268	0.295	11	124.7501	0.810	16	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	125.0221	0.363	8	125.0268	0.295	11	124.7501	0.810	16	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	126.1700	0.000	1	125.0268	0.295	11	124.7501	0.810	16	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	123.2507	0.513	3	123.2507	0.263	3	124.7501	0.810	16	124.1306	2.757	30	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:2:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	124.9958	1.146	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	125.8230	0.537	2	125.8230	0.289	2	125.8230	0.289	2	124.9958	1.146	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	124.6230	0.000	1	124.6230	0.000	1	124.6230	0.000	1	124.9958	1.146	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-3:C-4:	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,5|C<4>}	125.2840	0.000	1	125.2840	0.000	1	125.2840	0.000	1	125.2840	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	118.3965	5.216	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>}	118.0530	0.000	1	118.0530	0.000	1	118.0530	0.000	1	118.3965	5.216	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.0900	0.431	3	117.0900	0.186	3	117.0900	0.186	3	118.3965	5.216	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.2680	0.000	1	118.2680	0.000	1	117.9997	0.343	3	118.3965	5.216	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.4030	0.000	1	118.4030	0.000	1	117.9997	0.343	3	118.3965	5.216	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	117.3280	0.000	1	117.3280	0.000	1	117.9997	0.343	3	118.3965	5.216	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	117.3735	3.424	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	117.3735	3.424	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	3:3:4:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.0770	0.551	4	117.0770	0.303	4	117.0770	0.303	4	117.0770	0.303	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<4>}	125.5298	0.413	5	125.5298	0.171	5	125.2790	0.280	8	125.2790	0.280	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,7|C<4>}	124.5050	0.000	1	124.5050	0.000	1	125.2790	0.280	8	125.2790	0.280	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	125.0390	0.496	2	125.0390	0.246	2	125.2790	0.280	8	125.2790	0.280	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:3:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	126.0570	0.000	1	126.0570	0.000	1	126.0570	0.000	1	126.0570	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:3:	4:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,6|C<4>}	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:1:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){6|C<4>}	118.5150	0.000	1	118.5150	0.000	1	118.5150	0.000	1	118.5150	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,7|C<4>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	117.8167	35.176	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,5|C<3>}	116.9430	0.000	1	116.9430	0.000	1	116.9430	0.000	1	117.8167	35.176	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:Si-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]SiC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]SiC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	117.8167	35.176	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:4:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	4:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|Br<1>,2|C<3>,4|C<4>}	123.8770	0.000	1	123.6100	0.109	3	123.6100	0.109	3	123.6100	0.109	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	4:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|H<1>,2|C<3>,4|C<4>}	123.4765	0.333	2	123.6100	0.109	3	123.6100	0.109	3	123.6100	0.109	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	117.8840	0.569	2	117.8840	0.323	2	117.8840	0.323	2	117.8153	0.176	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	117.8153	0.176	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.0130	0.655	2	122.0130	0.429	2	122.1090	0.242	3	122.1090	0.242	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3010	0.000	1	122.3010	0.000	1	122.1090	0.242	3	122.1090	0.242	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:4:3:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[5a]O[6])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	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>}	123.1270	0.000	1	123.1270	0.000	1	123.1270	0.000	1	123.1270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:4:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|Fe<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	118.6470	0.416	2	118.6470	0.173	2	118.6470	0.173	2	122.5135	19.993	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:1:	4:4:3:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	126.3800	0.091	2	126.3800	0.008	2	126.3800	0.008	2	122.5135	19.993	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:Se-2:	S[6]-2:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a])	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a]){4|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	122.0143	0.981	3	122.0143	0.963	3	122.0143	0.963	3	122.0143	0.963	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	2:3:1:1:	4:3:3:	C[6]-3:C[6]-4:N-2:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN){1|H<1>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	124.0020	0.000	1	124.0020	0.000	1	124.0020	0.000	1	122.5333	1.732	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	2:3:1:1:	4:3:3:	C[6]-3:C[6]-4:S-2:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a])	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	121.7990	0.478	2	121.7990	0.228	2	121.7990	0.228	2	122.5333	1.732	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	2:3:4:4:	3:3:2:	C[6]-3:C[6]-4:S-2:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo)	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]S)(SMo)	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo){1|C<4>,1|N<2>}	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]S)(SMo){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	123.9645	0.312	2	123.9645	0.097	2	123.9645	0.097	2	122.8663	2.272	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	2:3:4:4:	3:3:2:	C[6]-3:C[6]-4:S-2:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]S)(C[6]O[6]CC)(SCo)	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)(SCo)	C[6](C[6]C[6,6a]S)(C[6]O[6]CC)(SCo){1|C<3>,1|N<2>}	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2{1|C<3>,1|N<2>,1|S<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)(SCo){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	121.7680	1.376	2	121.7680	1.893	2	121.7680	1.893	2	122.8663	2.272	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:2:1:1:	4:3:3:	C[6]-3:C[6]-4:Se-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	122.8420	0.000	1	122.9665	0.031	2	122.9665	0.031	2	122.9665	0.031	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:2:1:1:	4:3:3:	C[6]-3:C[6]-4:Se-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|Se<2>,1|C<4>,1|O<2>,4|C<3>,5|H<1>}	123.0910	0.000	1	122.9665	0.031	2	122.9665	0.031	2	122.9665	0.031	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H){3|C<3>,4|H<1>}	117.1080	0.000	1	117.1080	0.000	1	117.1080	0.000	1	118.1120	0.998	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-2:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	118.6140	0.696	2	118.6140	0.484	2	118.6140	0.484	2	118.1120	0.998	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-2:	N[6]-3:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-1:	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C){1|N<3>,1|O<1>,6|H<1>}	124.6640	0.000	1	124.6640	0.000	1	124.6640	0.000	1	124.6025	0.008	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	124.6025	0.008	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-2:	N[6]-3:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-3:	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){1|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	125.3730	0.000	1	125.3730	0.000	1	125.3730	0.000	1	124.5475	1.363	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,4|H<1>}	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	124.5475	1.363	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	3:3:4:4:	3:3:4:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	124.0280	0.234	4	124.0280	0.055	4	124.0280	0.055	4	124.0280	0.055	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a])	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	116.0720	0.228	2	116.0720	0.052	2	116.5836	0.535	5	118.3801	10.491	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){4|C<4>,4|H<1>}	116.5180	0.474	2	116.5180	0.224	2	116.5836	0.535	5	118.3801	10.491	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){4|C<4>,4|H<1>}	117.7380	0.000	1	117.7380	0.000	1	116.5836	0.535	5	118.3801	10.491	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	124.3420	0.000	1	124.3420	0.000	1	124.3420	0.000	1	118.3801	10.491	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(OSi)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(OSi){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	121.4010	0.000	1	121.4010	0.000	1	121.4010	0.000	1	118.3801	10.491	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>,6|H<1>}	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	124.4560	0.000	1	124.4560	0.000	1	124.4460	0.000	2	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.4360	0.000	1	124.4360	0.000	1	124.4460	0.000	2	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	127.0000	0.000	1	127.0000	0.000	1	127.0000	0.000	1	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(OSi)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(COO)	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(OSi){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(COO){1|O<1>,2|H<1>,3|C<4>}	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	123.2969	5.742	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH){1|C<3>,3|C<4>,6|H<1>}	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	124.4980	1.534	2	124.4980	2.354	2	123.8546	3.157	5	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	122.2110	0.206	2	122.2110	0.043	2	123.8546	3.157	5	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	125.8550	0.000	1	125.8550	0.000	1	123.8546	3.157	5	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	122.8250	0.660	2	122.8250	0.436	2	123.9407	3.952	3	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	126.1720	0.000	1	126.1720	0.000	1	123.9407	3.952	3	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	124.3560	0.175	3	124.3560	0.031	3	123.6768	0.931	6	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	121.9060	0.000	1	121.9060	0.000	1	123.6768	0.931	6	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi){1|C<3>,1|H<1>,1|N<3>,2|C<2>}	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	123.5435	0.200	2	123.5435	0.040	2	123.6768	0.931	6	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:S-2:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(SC[6a])	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(SC[6a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	123.9204	1.854	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	127.8110	0.000	1	127.8110	0.000	1	127.8110	0.000	1	127.8110	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C[6]-3:	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O)	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|P<4>,3|C<4>}	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O){2|H<1>,5|C<4>}	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	123.2440	0.000	1	123.2440	0.000	1	123.2440	0.000	1	123.2440	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:2:	4:3:2:1:	4:3:4:	C[6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|Cl<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|C<3>,3|H<1>}	117.4885	0.028	2	117.4885	0.001	2	117.4885	0.001	2	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|H<1>}	118.5320	0.000	1	118.5320	0.000	1	119.5210	1.956	2	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|H<1>}	120.5100	0.000	1	120.5100	0.000	1	119.5210	1.956	2	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	115.7685	0.497	2	115.7685	0.247	2	116.0240	1.000	20	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	115.6947	0.931	13	115.6947	0.866	13	116.0240	1.000	20	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	116.2040	0.403	2	116.2040	0.162	2	116.0240	1.000	20	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	117.5017	0.118	3	117.5017	0.014	3	116.0240	1.000	20	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|S<2>,2|C<3>,3|H<1>}	118.2103	0.211	3	118.2103	0.045	3	118.2103	0.045	3	116.7273	2.244	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|O<2>,2|C<3>,3|H<1>}	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	118.6857	18.619	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.1205	1.281	2	120.1205	1.640	2	120.1205	1.640	2	118.6857	18.619	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH){1|C<3>,1|C<4>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	122.0460	0.000	1	122.0460	0.000	1	122.0460	0.000	1	118.6857	18.619	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:1:1:	3:4:3:	C[6]-3:C[6]-4:C-3:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:2:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>,2|O<2>}	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:2:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){2|C<3>,2|H<1>,2|O<2>}	118.0850	0.000	1	118.0850	0.000	1	118.4070	0.608	3	118.4070	0.608	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:2:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){2|C<3>,2|H<1>,2|O<2>}	118.5680	1.030	2	118.5680	1.060	2	118.4070	0.608	3	118.4070	0.608	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	118.5460	0.000	1	118.5460	0.000	1	118.5460	0.000	1	118.3735	0.060	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	118.3735	0.060	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	123.4970	22.032	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:1:	3:3:1:	C[6]-3:C[6]-4:N-3:	S[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	126.8160	0.000	1	126.8160	0.000	1	126.8160	0.000	1	123.4970	22.032	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	121.0410	0.000	1	121.0410	0.000	1	121.0410	0.000	1	120.3327	0.534	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3750	0.000	1	120.3750	0.000	1	119.9785	0.314	2	120.3327	0.534	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.5820	0.000	1	119.5820	0.000	1	119.9785	0.314	2	120.3327	0.534	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.5800	0.000	1	118.5800	0.000	1	118.9498	0.355	5	118.9498	0.355	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.2650	0.297	2	119.2650	0.088	2	118.9498	0.355	5	118.9498	0.355	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|O<2>}	119.5130	0.000	1	119.5130	0.000	1	118.9498	0.355	5	118.9498	0.355	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.1260	0.000	1	118.1260	0.000	1	118.9498	0.355	5	118.9498	0.355	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:2:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:C-2:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO)	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO){1|C<4>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	2:3:4:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-4:C[4]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	C[6](C[6]C[4]C[6])(C[6a]C[6a]2)(N[6]S[6])	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]C[4]C[6])(C[6a]C[6a]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	114.9800	3.018	2	114.9800	9.108	2	114.9800	9.108	2	114.9800	9.108	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:2:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:2:3:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:N-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	117.4130	0.000	2	117.4130	0.000	2	117.4130	0.000	2	118.1845	0.791	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	118.1845	0.791	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){2|H<1>,4|C<3>}	119.1670	0.000	1	119.1670	0.000	1	118.9907	0.023	3	118.1845	0.791	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){2|H<1>,3|C<3>}	118.9025	0.009	2	118.9025	0.000	2	118.9907	0.023	3	118.1845	0.791	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6]C)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,4|C<3>}	C[6](C[6]C[6]C)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	117.4410	0.000	1	117.4410	0.000	1	118.7010	3.175	2	118.3930	1.872	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO){1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	119.9610	0.000	1	119.9610	0.000	1	118.7010	3.175	2	118.3930	1.872	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS){2|H<1>,4|C<3>}	117.7770	0.000	1	117.7770	0.000	1	117.7770	0.000	1	118.3930	1.872	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H){1|N<3>,2|C<3>,4|H<1>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N){1|N<3>,2|C<3>,6|H<1>}	126.6960	0.000	1	126.6960	0.000	1	126.6960	0.000	1	126.6960	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	118.8456	0.718	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	119.0574	0.556	32	119.0574	0.309	32	119.0505	0.301	33	118.8456	0.718	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	118.8300	0.000	1	118.8300	0.000	1	119.0505	0.301	33	118.8456	0.718	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	118.1553	0.494	15	118.1553	0.244	15	118.1553	0.244	15	118.8456	0.718	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC){2|C<3>,3|C<4>,4|H<1>}	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|P<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.7670	0.000	1	121.7670	0.000	1	121.7670	0.000	1	121.9195	0.074	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,4|H<1>}	121.8290	0.000	1	121.9703	0.096	3	121.9703	0.096	3	121.9195	0.074	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	122.0410	0.402	2	121.9703	0.096	3	121.9703	0.096	3	121.9195	0.074	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:2:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:2:2:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2	C[6](C[6]C[6a]C[6])(C[6]C[6]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]OO)(H){2|O<2>,4|C<3>}	119.3327	0.029	3	119.3327	0.001	3	119.3327	0.001	3	119.3327	0.001	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	122.4160	0.000	1	122.4160	0.000	1	122.2460	0.058	2	122.2460	0.058	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	122.0760	0.000	1	122.0760	0.000	1	122.2460	0.058	2	122.2460	0.058	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO){1|O<1>,1|S<2>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C){2|H<1>,7|C<3>}	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	121.8907	0.455	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	120.6520	0.000	1	120.6520	0.000	1	121.9496	0.543	5	121.8907	0.455	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	122.2740	0.148	4	122.2740	0.022	4	121.9496	0.543	5	121.8907	0.455	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.1365	1.157	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	120.1365	1.157	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])2(CC3)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])2(CC3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	120.8715	0.640	2	120.8715	0.410	2	120.8715	0.410	2	120.1365	1.157	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:4:	C[6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5485	0.220	2	121.5485	0.048	2	121.5485	0.048	2	121.5485	0.048	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	119.3220	0.634	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	119.3220	0.634	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.2733	0.279	4	123.2733	0.078	4	123.2820	0.059	5	123.2820	0.059	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.3170	0.000	1	123.3170	0.000	1	123.2820	0.059	5	123.2820	0.059	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>}	118.4735	1.684	2	118.4735	2.835	2	118.4735	2.835	2	119.0363	2.368	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:3:4:2:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,4|C<3>}	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	119.0363	2.368	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<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>}	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.0110	0.000	1	120.0110	0.000	1	120.7880	1.207	2	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	121.5650	0.000	1	121.5650	0.000	1	120.7880	1.207	2	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	121.2620	0.000	1	120.7100	0.609	2	119.6843	1.657	6	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	120.1580	0.000	1	120.7100	0.609	2	119.6843	1.657	6	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	120.6490	0.000	1	120.0180	0.796	2	119.6843	1.657	6	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	119.3870	0.000	1	120.0180	0.796	2	119.6843	1.657	6	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	118.9800	0.000	1	118.3250	0.858	2	119.6843	1.657	6	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	117.6700	0.000	1	118.3250	0.858	2	119.6843	1.657	6	119.9603	1.617	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,2|H<1>,3|C<3>}	116.2495	0.295	2	116.2495	0.087	2	116.2495	0.087	2	116.2495	0.087	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.8337	7.232	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-3:Si[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2{1|Si<4>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|Si<4>,1|C<4>,4|C<3>,4|H<1>}	123.4490	0.000	1	123.4490	0.000	1	123.4490	0.000	1	120.8337	7.232	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS){1|C<4>,2|C<3>,2|H<1>}	118.0760	0.000	1	118.0760	0.000	1	118.0760	0.000	1	120.8337	7.232	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[4]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	120.8770	1.448	2	120.8770	2.097	2	120.8770	2.097	2	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	122.1060	0.000	1	122.1060	0.000	1	122.0793	0.777	3	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	121.1850	0.000	1	121.1850	0.000	1	122.0793	0.777	3	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.9470	0.000	1	122.9470	0.000	1	122.0793	0.777	3	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	121.2670	0.000	1	121.2670	0.000	1	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	120.9260	0.000	1	120.6244	0.604	5	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	120.5490	0.876	4	120.6244	0.604	5	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.9540	0.000	1	120.9540	0.000	1	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6150	0.000	1	120.6150	0.000	1	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	121.1400	0.000	1	120.3835	0.776	4	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	119.1300	0.000	1	120.3835	0.776	4	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	120.6320	0.249	2	120.3835	0.776	4	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	117.6930	0.000	1	117.6930	0.000	1	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.5700	0.000	1	122.5700	0.000	1	120.5539	1.370	14	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	N[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	121.2810	0.000	1	121.2810	0.000	1	121.2810	0.000	1	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	124.2850	0.000	1	124.2850	0.000	1	122.6535	0.795	6	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	122.3272	0.442	5	122.3272	0.195	5	122.6535	0.795	6	121.2673	1.855	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	122.7760	0.000	1	122.7760	0.000	1	122.7760	0.000	1	122.7760	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC){1|C<4>,4|C<3>,4|H<1>}	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.5850	0.075	2	119.5850	0.006	2	119.5850	0.006	2	120.6970	0.759	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.3092	0.417	4	121.3092	0.174	4	121.3092	0.174	4	120.6970	0.759	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	120.6970	0.759	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	120.1480	0.643	2	120.1480	0.414	2	120.1480	0.414	2	120.1480	0.414	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:2:2:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CN)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CN)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,4|C<3>}	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	116.5985	0.016	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|Si<4>,1|C<4>,1|H<1>,5|C<3>}	116.6880	0.000	1	116.6880	0.000	1	116.6880	0.000	1	116.5985	0.016	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	118.9110	0.000	1	118.9110	0.000	1	119.1125	0.081	2	119.1125	0.081	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	119.3140	0.000	1	119.3140	0.000	1	119.1125	0.081	2	119.1125	0.081	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:4:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:4:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	4:3:4:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.9720	0.000	1	123.9720	0.000	1	123.9720	0.000	1	123.9720	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:3:3:	3:4:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N-3:N-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,3|C<3>}	122.5930	0.000	1	122.5930	0.000	1	120.5933	2.208	4	120.5933	2.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	120.8490	0.000	1	120.8490	0.000	1	120.5933	2.208	4	120.5933	2.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	119.5520	0.000	1	119.5520	0.000	1	120.5933	2.208	4	120.5933	2.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	119.3790	0.000	1	119.3790	0.000	1	120.5933	2.208	4	120.5933	2.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:B-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|B<4>,1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	124.0590	0.000	1	124.0590	0.000	1	124.0590	0.000	1	120.4535	6.101	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	120.4535	6.101	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|S<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	119.2890	0.000	1	119.2890	0.000	1	118.9130	0.283	2	120.4535	6.101	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	118.5370	0.000	1	118.5370	0.000	1	118.9130	0.283	2	120.4535	6.101	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	117.1250	0.000	1	117.1250	0.000	1	119.9180	15.602	2	119.9180	15.602	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|H<1>,2|C<4>,6|C<3>}	122.7110	0.000	1	122.7110	0.000	1	119.9180	15.602	2	119.9180	15.602	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:2:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|F<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	117.2870	0.000	1	117.2870	0.000	1	117.2995	0.000	2	117.2995	0.000	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	3:4:4:2:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|O<2>,2|C<4>,4|C<3>}	117.3120	0.000	1	117.3120	0.000	1	117.2995	0.000	2	117.2995	0.000	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.0490	0.000	1	120.3315	0.160	2	120.7700	0.657	3	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.6140	0.000	1	120.3315	0.160	2	120.7700	0.657	3	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[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)(C[6]C[5a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.6470	0.000	1	121.6470	0.000	1	120.7700	0.657	3	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO){1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.2120	0.542	5	120.2120	0.293	5	119.7330	1.611	6	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.3380	0.000	1	117.3380	0.000	1	119.7330	1.611	6	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	118.6080	0.000	1	118.6080	0.000	1	115.4360	20.123	2	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,5|H<1>}	112.2640	0.000	1	112.2640	0.000	1	115.4360	20.123	2	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|Cl<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|C<4>,2|C<3>,3|H<1>}	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	117.7085	1.042	2	117.7085	1.085	2	116.7853	0.591	23	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	115.1290	0.000	1	115.1290	0.000	1	116.7853	0.591	23	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	116.3570	0.816	5	116.3570	0.667	5	116.7853	0.591	23	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.0840	0.000	1	116.9707	0.230	14	116.7853	0.591	23	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	116.9620	0.499	13	116.9707	0.230	14	116.7853	0.591	23	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	116.1400	0.000	1	116.1400	0.000	1	116.7853	0.591	23	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:Cl-1:	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|B<4>,2|H<1>,4|C<3>}	120.0440	0.481	2	120.0440	0.231	2	120.0440	0.231	2	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	118.1230	0.000	1	118.4757	0.198	3	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	118.6520	0.458	2	118.4757	0.198	3	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	119.5945	0.169	2	119.9869	0.499	17	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	119.9930	0.569	9	119.9869	0.499	17	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	119.4080	0.000	1	119.9869	0.499	17	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	120.8117	0.869	3	119.9869	0.499	17	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	119.4040	0.697	2	119.9869	0.499	17	119.7602	0.747	20	118.4924	3.624	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	122.1735	0.238	2	122.1735	0.057	2	122.1735	0.057	2	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	117.0860	0.000	1	117.0860	0.000	1	118.9076	0.622	14	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCN)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCN){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|C<3>,3|H<1>}	118.5960	0.709	3	118.5960	0.502	3	118.9076	0.622	14	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl){1|C<4>,2|C<3>,3|H<1>}	119.2022	0.578	9	119.2022	0.334	9	118.9076	0.622	14	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|H<1>,3|C<3>}	119.0120	0.000	1	119.0120	0.000	1	118.9076	0.622	14	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:O-2:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(OSi)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(OSi){1|O<1>,2|H<1>,3|C<4>}	120.9810	0.008	2	120.9810	0.000	2	120.9810	0.000	2	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-2:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN){1|C<4>,2|C<3>,3|H<1>}	116.6725	0.507	2	116.6725	0.257	2	116.6725	0.257	2	119.0407	2.979	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[4,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CCrO)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CCrO){3|C<3>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	115.5560	0.000	1	115.5560	0.000	1	117.5623	3.768	3	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[4,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO){3|C<3>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	119.4310	0.000	1	119.4310	0.000	1	117.5623	3.768	3	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[4,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO){3|C<3>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	117.7000	0.000	1	117.7000	0.000	1	117.5623	3.768	3	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	113.4180	0.000	1	113.4180	0.000	1	117.1750	28.230	2	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	120.9320	0.000	1	120.9320	0.000	1	117.1750	28.230	2	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)2(N[6]C[6]2){3|C<4>,8|H<1>}	117.5495	2.814	4	117.5495	7.919	4	117.5495	7.919	4	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>,6|H<1>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	123.8780	0.000	1	123.8780	0.000	1	122.5970	1.455	3	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	121.9565	0.670	2	121.9565	0.448	2	122.5970	1.455	3	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2{1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	117.8295	0.375	2	117.8295	0.141	2	117.8295	0.141	2	118.9633	9.181	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.7575	0.293	2	120.7575	0.086	2	120.7575	0.086	2	121.3352	1.811	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	122.8635	0.791	2	122.8635	0.626	2	122.8635	0.626	2	121.3352	1.811	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.6660	0.553	2	120.6660	0.306	2	120.6660	0.306	2	121.3352	1.811	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	121.5690	0.000	1	121.5690	0.000	1	122.1790	0.744	2	121.3352	1.811	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	122.7890	0.000	1	122.7890	0.000	1	122.1790	0.744	2	121.3352	1.811	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|Si<4>,1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(SiC3){2|C<3>,2|C<4>,2|H<1>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	121.3352	1.811	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.2700	0.000	1	119.2700	0.000	1	118.9410	0.216	2	118.9410	0.216	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	118.6120	0.000	1	118.6120	0.000	1	118.9410	0.216	2	118.9410	0.216	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C){1|C<4>,2|C<3>,6|H<1>}	124.8350	0.000	1	124.8350	0.000	1	124.8350	0.000	1	124.8350	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH)	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>}	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O){2|O<2>,4|C<4>,5|H<1>}	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,5|H<1>}	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	118.5838	1.654	5	118.5838	2.736	5	118.5838	2.736	5	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	122.9390	0.000	1	122.9390	0.000	1	122.9635	0.199	6	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	123.0297	0.692	3	122.9684	0.248	5	122.9635	0.199	6	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	122.8765	0.080	2	122.9684	0.248	5	122.9635	0.199	6	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){4|C<4>,4|H<1>}	113.9090	0.000	1	113.9090	0.000	1	115.5447	2.954	3	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){1|C<3>,2|C<4>,6|H<1>}	115.3890	0.000	1	116.3625	1.895	2	115.5447	2.954	3	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	117.3360	0.000	1	116.3625	1.895	2	115.5447	2.954	3	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H){1|C<4>,3|H<1>,5|C<3>}	122.0515	1.501	2	122.0515	2.254	2	122.0515	2.254	2	120.1233	8.191	21	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]C)(OCu)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN){1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]C)(OCu){3|C<4>,3|H<1>}	120.3850	0.000	1	120.3850	0.000	1	121.2157	0.519	3	121.2157	0.519	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,3|H<1>}	121.6310	0.055	2	121.6310	0.003	2	121.2157	0.519	3	121.2157	0.519	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-3:C[6]-3:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH){1|H<1>,1|S<4>,5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	122.5080	0.000	1	122.5080	0.000	1	121.5655	0.551	4	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	120.9850	0.208	2	120.9850	0.043	2	121.5655	0.551	4	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	121.7840	0.000	1	121.7840	0.000	1	121.5655	0.551	4	118.6941	12.101	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	108.4020	0.000	1	109.7405	3.583	2	109.7405	3.583	2	109.7405	3.583	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	111.0790	0.000	1	109.7405	3.583	2	109.7405	3.583	2	109.7405	3.583	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CCO)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CCO){2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>}	122.2360	0.000	1	122.2360	0.000	1	122.2360	0.000	1	122.3080	0.022	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,2|O<2>}	122.3440	0.191	2	122.3440	0.036	2	122.3440	0.036	2	122.3080	0.022	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:1:	4:3:3:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	120.1630	0.000	1	120.1630	0.000	1	120.1630	0.000	1	116.7390	23.448	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:1:	4:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	116.7390	23.448	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:2:2:	3:3:2:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6,6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	119.7260	0.554	2	119.7260	0.307	2	119.7260	0.307	2	119.7260	0.307	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.7130	0.000	1	120.4085	0.185	2	120.0377	0.505	3	119.3734	2.649	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.1040	0.000	1	120.4085	0.185	2	120.0377	0.505	3	119.3734	2.649	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	119.2960	0.000	1	119.2960	0.000	1	120.0377	0.505	3	119.3734	2.649	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	120.7275	0.022	2	120.7275	0.000	2	120.7275	0.000	2	119.3734	2.649	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	119.6490	0.000	1	119.6490	0.000	1	117.8063	2.588	3	119.3734	2.649	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	116.8850	0.287	2	116.8850	0.082	2	117.8063	2.588	3	119.3734	2.649	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|O<2>}	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>}	121.0920	0.055	2	121.1263	0.005	3	121.1263	0.005	3	121.1263	0.005	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	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>}	121.1950	0.000	1	121.1263	0.005	3	121.1263	0.005	3	121.1263	0.005	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.7638	0.649	4	119.7638	0.421	4	119.7638	0.421	4	120.1795	0.427	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	120.1795	0.427	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	120.5733	0.409	3	120.5733	0.167	3	120.5733	0.167	3	120.1795	0.427	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H){2|C<4>,2|H<1>,4|C<3>}	128.6500	0.000	1	128.6500	0.000	1	128.6500	0.000	1	128.6500	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]PdH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|Pd<5>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]PdH)(H){1|H<1>,2|C<3>,3|C<4>}	119.7010	0.219	2	119.7010	0.048	2	119.7010	0.048	2	119.7010	0.048	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:4:1:	3:4:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	123.3430	0.689	4	123.3430	0.474	4	123.2584	0.391	5	123.2584	0.391	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:4:1:	3:4:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.9200	0.000	1	122.9200	0.000	1	123.2584	0.391	5	123.2584	0.391	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:3:	4:3:4:4:	3:3:2:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-4:C-4:	N[5,6]-3:C[6]-3:N-2:	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH)	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,1|N<2>,2|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH){1|N<3>,2|H<1>,5|C<4>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	124.0718	1.020	4	124.0718	1.040	4	124.1079	0.549	8	122.4798	12.227	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO){1|C<3>,1|C<4>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	124.1595	0.842	2	124.1595	0.709	2	124.1079	0.549	8	122.4798	12.227	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	124.1720	0.000	1	124.1720	0.000	1	124.1079	0.549	8	122.4798	12.227	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH){1|C<3>,1|C<4>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	124.0850	0.000	1	124.0850	0.000	1	124.1079	0.549	8	122.4798	12.227	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:P-4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|C<3>,5|H<1>}	116.2610	0.000	1	116.2610	0.000	1	115.9675	0.172	2	122.4798	12.227	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:1:1:	3:3:3:	C[6]-3:C[6]-4:P-4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|H<1>,5|C<3>}	115.6740	0.000	1	115.6740	0.000	1	115.9675	0.172	2	122.4798	12.227	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	2:3:4:1:	3:3:2:	C[6]-3:C[6]-4:C-4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:2:1:1:	3:4:3:	C[6]-3:C[6]-4:S-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]S)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|O<2>,2|C<3>,6|H<1>}	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	119.2820	0.000	1	119.2820	0.000	1	119.2820	0.000	1	119.2820	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	118.9320	0.000	1	118.9320	0.000	1	119.4570	0.210	3	118.6116	1.453	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	119.7790	0.000	1	119.7790	0.000	1	119.4570	0.210	3	118.6116	1.453	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	119.6600	0.000	1	119.6600	0.000	1	119.4570	0.210	3	118.6116	1.453	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	117.3435	0.182	2	117.3435	0.033	2	117.3435	0.033	2	118.6116	1.453	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:B-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH)	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B){1|N<3>,2|C<3>,6|H<1>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	122.9005	9.886	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	124.6480	0.000	1	124.6480	0.000	1	124.6480	0.000	1	122.9005	9.886	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:3:	C[6]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|N<3>,2|C<3>,6|H<1>}	126.4060	0.000	1	126.4060	0.000	1	126.4060	0.000	1	122.9005	9.886	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:3:	C[6]-3:P[5]-4:C[6]-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:P[5]-4:C[6]-3:	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]H)	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2{1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	122.9005	9.886	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	121.3970	0.000	1	121.6655	0.144	2	121.6655	0.144	2	121.2250	0.325	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	121.9340	0.000	1	121.6655	0.144	2	121.6655	0.144	2	121.2250	0.325	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.9313	0.505	3	120.9313	0.255	3	120.9313	0.255	3	121.2250	0.325	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>}	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	124.2920	0.000	1	124.2920	0.000	1	124.2920	0.000	1	124.2920	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	121.3695	4.284	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	121.3695	4.284	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H){1|In<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.1845	0.494	2	119.1845	0.244	2	119.0540	0.157	4	119.0540	0.157	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H){1|In<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.9235	0.397	2	118.9235	0.157	2	119.0540	0.157	4	119.0540	0.157	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	119.1300	0.542	3	119.1300	0.293	3	118.8860	0.434	4	118.8860	0.434	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.1540	0.000	1	118.1540	0.000	1	118.8860	0.434	4	118.8860	0.434	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|H<1>,3|C<4>}	121.6875	0.431	2	121.6875	0.185	2	121.6875	0.185	2	120.8530	1.055	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	120.8530	1.055	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	120.8530	1.055	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3){1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:F-1:F-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3)	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3){1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2{3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	118.1300	0.547	2	118.1300	0.300	2	118.1300	0.300	2	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	117.9830	0.000	1	117.9830	0.000	1	119.1620	2.780	2	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CF3){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|H<1>}	120.3410	0.000	1	120.3410	0.000	1	119.1620	2.780	2	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO){2|C<3>,3|C<4>,4|H<1>}	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|C<4>,4|C<3>,5|H<1>}	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	120.9660	0.000	1	120.9660	0.000	1	120.7950	0.058	2	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	120.6240	0.000	1	120.6240	0.000	1	120.7950	0.058	2	119.5838	4.130	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3)	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3){1|C<4>,3|C<3>}	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	124.0470	0.000	1	124.0470	0.000	1	124.0470	0.000	1	124.0470	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3){2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,5,5]C[4,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,5]C[4,6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	122.1630	0.000	1	122.1630	0.000	1	122.2510	0.015	2	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	122.3390	0.000	1	122.3390	0.000	1	122.2510	0.015	2	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	121.2900	0.000	1	121.4395	0.045	2	121.5715	0.238	6	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	121.5890	0.000	1	121.4395	0.045	2	121.5715	0.238	6	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	121.4920	0.000	1	121.4920	0.000	1	121.5715	0.238	6	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	121.6860	0.730	3	121.6860	0.533	3	121.5715	0.238	6	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	121.6570	0.000	1	121.6570	0.000	1	122.2154	0.543	8	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	121.5455	0.511	2	122.2804	0.676	5	122.2154	0.543	8	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	122.7703	0.566	3	122.2804	0.676	5	122.2154	0.543	8	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	122.9390	0.000	1	122.9390	0.000	1	122.2154	0.543	8	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	121.7250	0.000	1	121.7250	0.000	1	122.2154	0.543	8	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>,3|H<1>}	119.9840	0.052	2	119.9840	0.003	2	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	122.0160	0.000	1	122.0160	0.000	1	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	122.5620	0.000	1	122.5620	0.000	1	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	121.3705	0.357	2	121.3705	0.128	2	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	122.3250	0.000	1	122.1790	0.135	4	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	121.8805	0.028	2	122.1790	0.135	4	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	122.6300	0.000	1	122.1790	0.135	4	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H){1|S<4>,3|C<4>,3|H<1>}	121.4920	0.000	1	121.4920	0.000	1	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	121.3428	0.343	6	121.3428	0.117	6	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	122.7287	0.315	3	122.7287	0.099	3	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	120.2220	0.000	1	120.2220	0.000	1	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	122.5090	0.000	1	122.5090	0.000	1	121.6577	0.760	22	121.6882	0.781	41	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC){1|O<2>,3|C<4>,4|H<1>}	120.2870	0.000	1	120.2870	0.000	1	120.2870	0.000	1	120.2870	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	123.2043	2.850	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	123.2043	2.850	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-3:C[6]-3:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	125.1350	0.000	1	125.1350	0.000	1	125.1350	0.000	1	123.2043	2.850	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	122.3030	0.000	1	122.3030	0.000	1	123.5643	1.028	4	123.0747	0.725	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	123.8400	0.000	1	123.8400	0.000	1	123.5643	1.028	4	123.0747	0.725	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	123.3740	0.000	1	123.3740	0.000	1	123.5643	1.028	4	123.0747	0.725	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	124.7400	0.000	1	124.7400	0.000	1	123.5643	1.028	4	123.0747	0.725	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO){2|C<3>,2|C<4>,4|H<1>}	122.5252	0.403	4	122.5252	0.163	4	122.6830	0.246	5	123.0747	0.725	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|O<2>,3|C<4>,4|H<1>}	123.3140	0.000	1	123.3140	0.000	1	122.6830	0.246	5	123.0747	0.725	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.6470	0.488	2	116.6470	0.238	2	117.9002	3.411	4	117.9002	3.411	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.1535	1.927	2	119.1535	3.713	2	117.9002	3.411	4	117.9002	3.411	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.5350	1.024	2	120.5350	1.048	2	120.5350	1.048	2	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	121.3550	0.000	1	121.3550	0.000	1	121.4085	0.708	6	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	121.1370	0.546	2	121.1370	0.298	2	121.4085	0.708	6	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.7960	0.000	1	120.7960	0.000	1	121.4085	0.708	6	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	121.0160	0.000	1	121.0160	0.000	1	121.4085	0.708	6	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0100	0.000	1	123.0100	0.000	1	121.4085	0.708	6	121.0061	1.022	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	122.0560	0.000	1	122.0560	0.000	1	122.0560	0.000	1	122.0560	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	121.3520	3.754	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO){1|O<2>,3|C<4>,4|H<1>}	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	121.3520	3.754	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:2:2:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-2:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3){2|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH){1|C<4>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H){1|C<2>,1|O<2>,2|H<1>,3|C<4>}	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:3:1:	6:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<6>,1|N<2>,2|H<1>,3|C<3>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,7|H<1>}	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:3:1:	6:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	122.9550	0.660	2	122.9550	0.436	2	122.9550	0.436	2	122.9550	0.436	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:Si-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:4:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	123.6280	0.000	1	123.6280	0.000	1	123.6280	0.000	1	121.9188	1.138	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.2540	0.000	1	122.2540	0.000	1	121.4915	0.300	4	121.9188	1.138	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	121.4870	0.000	1	121.4870	0.000	1	121.4915	0.300	4	121.9188	1.138	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	121.1125	0.180	2	121.1125	0.033	2	121.4915	0.300	4	121.9188	1.138	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	120.4365	0.158	2	120.4365	0.025	2	120.4365	0.025	2	120.4365	0.025	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	6:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	Nb[4x6]-6:C[6]-3:C-4:	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3)	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|N<3>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|Nb<6>,1|C<4>}	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<4>,3|C<3>,3|N<3>}	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	2:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	2:3:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	O-2:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	2:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]O[6]HH)(C[6]N[6]H)(H){1|C<3>,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](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	122.0780	0.130	2	122.0780	0.017	2	122.0780	0.017	2	122.0780	0.017	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<2>,1|O<2>,2|H<1>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>}	121.7005	0.875	2	121.7005	0.765	2	121.9375	0.898	4	123.2414	9.175	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|Pt<4>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Pt<4>,1|O<2>,3|H<1>}	122.1745	1.306	2	122.1745	1.706	2	121.9375	0.898	4	123.2414	9.175	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(S[6]S[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|S<3>,2|H<1>}	C[6](C[6]C[6]H)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|W<6>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|S<2>,1|W<6>,2|H<1>}	128.4570	0.000	1	128.4570	0.000	1	128.4570	0.000	1	123.2414	9.175	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|O<2>,2|H<1>}	120.2220	0.455	2	120.2220	0.207	2	120.2220	0.207	2	120.2220	0.207	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|O<2>,2|H<1>}	121.7008	0.347	5	121.7008	0.121	5	121.7008	0.121	5	122.4867	3.802	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]S[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]S[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|S<2>,3|H<1>}	126.4160	0.000	1	126.4160	0.000	1	126.4160	0.000	1	122.4867	3.802	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	123.5200	0.184	2	123.5200	0.034	2	123.5200	0.034	2	123.5200	0.034	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:2:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]O[6]HO)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]O[6]HO)(C[6]C[6]O)(O){1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|H<1>}	122.0995	0.472	2	122.0995	0.222	2	122.0003	0.141	3	121.6316	0.334	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	121.8020	0.000	1	121.8020	0.000	1	122.0003	0.141	3	121.6316	0.334	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]HS)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	121.0785	0.183	2	121.0785	0.034	2	121.0785	0.034	2	121.6316	0.334	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO)	C[6](C[6]O[6]HO)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO){1|C<4>,2|H<1>,2|O<2>}	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,4|C<3>}	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	122.9557	34.532	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	127.3470	0.000	1	125.2948	2.128	5	125.2948	2.128	5	122.9557	34.532	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|S<2>,2|H<1>,3|C<3>}	124.7818	1.041	4	125.2948	2.128	5	125.2948	2.128	5	122.9557	34.532	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H)	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.6150	0.000	1	118.6150	0.000	1	118.6150	0.000	1	121.2978	4.913	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	121.2978	4.913	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H)	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	123.0775	0.663	2	123.0775	0.439	2	123.0775	0.439	2	121.2978	4.913	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.7823	0.334	3	120.7823	0.112	3	120.7823	0.112	3	120.7823	0.112	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:2:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H){1|C<4>,3|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](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]O[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){2|O<2>,4|C<3>}	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H){1|C<4>,3|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](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|O<2>,2|C<3>,3|C<4>}	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>,2|H<1>}	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	117.6610	5.746	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	115.9660	0.000	1	115.9660	0.000	1	115.9660	0.000	1	117.6610	5.746	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	121.9380	0.000	2	121.9380	0.000	2	122.3427	0.241	7	122.3427	0.241	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.5195	0.623	2	122.5195	0.388	2	122.3427	0.241	7	122.3427	0.241	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.7320	0.000	1	122.7320	0.000	1	122.3427	0.241	7	122.3427	0.241	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.8840	0.000	1	122.8840	0.000	1	122.3427	0.241	7	122.3427	0.241	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.8680	0.000	1	121.8680	0.000	1	122.3427	0.241	7	122.3427	0.241	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:2:4:3:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(H){1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){2|C<3>,2|H<1>}	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	C[6](C[6]C[6]Cl)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl){1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Cl)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	123.4260	0.000	1	123.4260	0.000	1	125.4910	8.528	2	125.4910	8.528	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|Ge<4>,1|P<2>}	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|C<4>,2|C<3>,2|H<1>}	127.5560	0.000	1	127.5560	0.000	1	125.4910	8.528	2	125.4910	8.528	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)2	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	C[6](C[6]C[6]Cl)2(H)2{1|N<3>,2|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	125.2260	0.674	4	125.2260	0.454	4	125.2260	0.454	4	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|P<4>,2|H<1>,3|C<3>}	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	121.0840	0.000	1	121.0840	0.000	1	121.0840	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]DH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	119.5510	0.000	1	119.5510	0.000	1	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	118.9650	0.000	2	118.9650	0.000	2	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	120.9620	0.000	1	120.2943	0.209	4	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	120.0717	0.126	3	120.2943	0.209	4	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	118.4910	0.000	1	118.4910	0.000	1	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	120.5098	0.999	5	120.5098	0.999	5	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.8250	0.000	1	119.8250	0.000	1	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	125.8630	0.000	1	125.8630	0.000	1	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	119.7830	0.000	1	119.7830	0.000	1	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	119.6815	0.288	2	119.6815	0.083	2	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	118.7320	0.000	1	120.7833	1.622	7	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	120.8840	0.000	1	120.7833	1.622	7	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	120.3750	0.187	2	120.7833	1.622	7	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	120.6420	0.000	1	120.7833	1.622	7	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	122.2375	0.945	2	120.7833	1.622	7	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2{1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	122.7120	0.000	1	122.7120	0.000	1	120.4895	2.431	26	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	124.4540	0.686	2	124.1173	0.575	3	123.3064	3.146	7	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	123.4440	0.000	1	124.1173	0.575	3	123.3064	3.146	7	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,4|H<1>}	123.9350	0.000	1	123.9350	0.000	1	123.3064	3.146	7	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,3|H<1>}	123.6790	0.771	2	123.6790	0.594	2	123.3064	3.146	7	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	119.5000	0.000	1	119.5000	0.000	1	123.3064	3.146	7	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.4800	0.000	1	121.4800	0.000	1	121.7871	1.812	15	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	119.8632	1.020	4	119.8632	1.041	4	121.7871	1.812	15	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	122.7133	0.203	8	122.5873	0.104	10	121.7871	1.812	15	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	122.0835	0.121	2	122.5873	0.104	10	121.7871	1.812	15	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,2|H<1>}	119.2420	0.000	1	119.2420	0.000	1	119.2420	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,4|H<1>}	118.6555	2.760	2	118.6555	7.617	2	121.4200	12.741	4	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	124.0470	0.000	1	124.0470	0.000	1	121.4200	12.741	4	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	124.3220	0.000	1	124.3220	0.000	1	121.4200	12.741	4	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]H)(H){3|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	126.9270	0.000	1	126.9270	0.000	1	126.9270	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|N<3>,3|C<4>,3|H<1>}	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,3|H<1>}	116.1530	0.000	1	117.0290	1.535	2	117.0290	1.535	2	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,3|H<1>}	117.9050	0.000	1	117.0290	1.535	2	117.0290	1.535	2	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:Br-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	121.3923	6.149	65	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|C<3>,3|H<1>}	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|N<3>,2|H<1>}	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	121.7525	0.695	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,3|H<1>}	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	121.7525	0.695	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]HH)(C[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]HH)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,3|H<1>}	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|H<1>}	123.1550	0.000	1	123.1550	0.000	1	121.7745	3.812	2	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(CCHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	120.3940	0.000	1	120.3940	0.000	1	121.7745	3.812	2	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(NH3){1|C<3>,3|H<1>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	123.8675	0.103	2	123.8675	0.011	2	123.8675	0.011	2	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]HH)(C[6]N[6]C)(H){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	125.5290	0.000	1	125.5290	0.000	1	125.5290	0.000	1	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(O){1|S<4>,2|C<4>}	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	122.1855	5.677	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br)	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br){2|C<3>,2|H<1>}	122.6825	0.029	2	122.6825	0.001	2	122.6825	0.001	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I)	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br){4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I){1|N<3>,2|H<1>,5|C<3>}	124.2180	0.000	1	124.2180	0.000	1	124.2180	0.000	1	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:Cl-1:F-1:	C[3,6]-4:C[6]-3:F-1:	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F)	C[6](C[6]C[3,6]O)(C[6]C[6]F)(Cl)(F)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F){1|F<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]F)(Cl)(F){2|C<4>,2|F<1>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	124.8270	0.641	2	124.8270	0.410	2	124.8270	0.410	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]B[6]HH)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|H<1>}	121.4020	0.723	2	121.4020	0.522	2	121.4020	0.522	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	124.5010	0.000	1	124.5010	0.000	1	124.1773	0.125	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	124.0155	0.306	2	124.0155	0.094	2	124.1773	0.125	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	124.7740	0.000	1	124.2710	0.506	2	124.8764	0.453	5	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|S<2>,2|H<1>}	123.7680	0.000	1	124.2710	0.506	2	124.8764	0.453	5	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	125.1020	0.000	1	125.1020	0.000	1	124.8764	0.453	5	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	125.5020	0.000	1	125.5020	0.000	1	124.8764	0.453	5	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	125.2360	0.000	1	125.2360	0.000	1	124.8764	0.453	5	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	124.2080	0.427	2	124.2080	0.182	2	123.2747	0.362	12	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	123.0881	0.436	10	123.0881	0.190	10	123.2747	0.362	12	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	123.3560	0.000	1	123.3560	0.000	1	123.8353	0.274	10	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	124.4210	0.000	1	124.4210	0.000	1	123.8353	0.274	10	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	123.6777	0.703	3	123.8546	0.305	7	123.8353	0.274	10	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	124.6130	0.000	1	123.8546	0.305	7	123.8353	0.274	10	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	123.7787	0.277	3	123.8546	0.305	7	123.8353	0.274	10	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	123.5940	0.000	1	123.5940	0.000	1	123.8353	0.274	10	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	B[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]B[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H)2{1|Si<4>,1|B<4>,1|H<1>}	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(H){1|Si<4>,2|H<1>,5|C<3>}	122.9135	0.206	2	122.9135	0.042	2	122.9135	0.042	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	118.9630	0.000	1	118.9630	0.000	1	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	123.1750	0.761	6	123.1750	0.580	6	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HW)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	123.1880	0.000	1	123.1880	0.000	1	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.7550	0.191	2	123.7550	0.036	2	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	123.5810	0.105	2	123.5810	0.011	2	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	120.7750	0.000	1	123.1416	20.110	10	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	129.4675	1.757	2	123.1416	20.110	10	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	123.0198	0.422	6	123.1416	20.110	10	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	113.5870	0.000	1	123.1416	20.110	10	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	123.4830	0.503	4	123.4830	0.253	4	123.1239	8.150	26	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|N<3>,4|H<1>}	122.6700	0.000	1	122.6700	0.000	1	122.6700	0.000	1	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]B[6]HH)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	124.5550	1.236	2	124.5550	1.528	2	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	124.0120	0.000	1	124.0120	0.000	1	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	123.1370	0.000	1	123.1370	0.000	1	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	122.3940	0.212	2	122.3940	0.045	2	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	123.6360	0.000	1	123.6360	0.000	1	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	123.6503	0.536	3	123.6503	0.287	3	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	123.8130	0.000	1	123.8130	0.000	1	123.5861	0.732	11	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|S<3>,2|H<1>}	125.5690	0.000	1	126.1025	0.569	2	127.1773	3.750	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|S<3>,1|S<4>,2|H<1>}	126.6360	0.000	1	126.1025	0.569	2	127.1773	3.750	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(S[6]S[6]W)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|S<2>,1|W<6>,2|H<1>}	C[6](C[6]C[6]H)(S[6]S[6]W)(H)2{1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|S<3>,2|H<1>}	129.3270	0.000	1	129.3270	0.000	1	127.1773	3.750	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	122.3015	0.153	2	122.3015	0.024	2	122.3015	0.024	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	124.0880	0.000	1	123.5863	0.810	6	123.5863	0.810	6	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.2810	0.000	1	123.5863	0.810	6	123.5863	0.810	6	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	123.7873	0.803	4	123.5863	0.810	6	123.5863	0.810	6	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.8950	0.000	1	123.8950	0.000	1	123.8950	0.000	1	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	124.0720	0.000	1	124.0720	0.000	1	124.5603	0.236	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	124.5650	0.000	1	124.5650	0.000	1	124.5603	0.236	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	125.0440	0.000	1	125.0440	0.000	1	124.5603	0.236	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[5,6]H)(H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	125.2165	0.235	2	125.2165	0.055	2	125.2165	0.055	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>,3|H<1>}	122.6890	0.000	1	122.6890	0.000	1	122.7615	0.011	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	122.8340	0.000	1	122.8340	0.000	1	122.7615	0.011	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.4567	0.095	3	123.5985	0.087	4	123.5985	0.087	4	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.0240	0.000	1	123.5985	0.087	4	123.5985	0.087	4	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	120.9680	0.000	1	123.4925	12.746	2	123.5740	6.393	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	126.0170	0.000	1	123.4925	12.746	2	123.5740	6.393	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.7370	0.000	1	123.7370	0.000	1	123.5740	6.393	3	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](S[6]S[6]Ru)(C[6]C[6]H)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|Ru<6>,1|S<3>,2|H<1>}	C[6](S[6]S[6]Ru)(C[6]C[6]H)(H)2{1|Ru<6>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|Ru<6>,1|S<3>,2|H<1>}	128.5800	0.908	2	128.5800	0.824	2	128.5800	0.824	2	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:I-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(I)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I)	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(I){4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I){1|N<3>,2|H<1>,5|C<3>}	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	123.6199	4.260	107	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<2>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,2|H<1>}	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	122.9617	0.776	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH){1|C<1>,1|C<3>,2|H<1>}	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	122.9617	0.776	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN){1|C<3>,3|H<1>}	122.2885	0.708	2	122.2885	0.501	2	122.2885	0.501	2	122.9617	0.776	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<2>,2|H<1>}	124.3660	0.000	1	124.3660	0.000	1	124.3660	0.000	1	123.0933	4.298	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)2	C[6](PC[6a]2Cu)(C[6]C[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Cu)(C[6]C[6]H)2{1|C<3>,3|H<1>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	123.0933	4.298	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,2|H<1>}	124.2130	0.000	1	124.2130	0.000	1	124.2130	0.000	1	123.0933	4.298	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3){1|N<3>,3|H<1>,5|C<3>}	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	B[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6]HH)(C[6]B[6]Si)(H)	C[6](C[6]C[6]H)2(H)2	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]HH)(C[6]B[6]Si)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H)2{1|Si<4>,1|B<4>,1|H<1>}	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(SiC3){3|H<1>,5|C<3>}	126.4315	0.920	2	126.4315	0.846	2	126.4315	0.846	2	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	123.6930	0.495	2	123.6930	0.245	2	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	124.6360	0.000	1	124.6360	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	124.5320	0.000	1	124.5320	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	123.7820	0.000	1	123.7820	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	121.2540	0.000	1	121.2540	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	124.5930	0.000	1	124.5930	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	123.6737	0.873	3	123.6737	0.761	3	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	124.1010	0.000	1	124.1010	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	123.8400	0.000	1	123.8400	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	123.6710	0.000	1	123.6710	0.000	1	123.7551	0.856	13	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H)2	C[6](N[6]C[6]RuB)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Ru<7>,1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|N<3>,1|N<4>}	C[6](N[6]C[6]RuB)(C[6]C[6]H)(CHHP){1|C<3>,1|N<3>,2|H<1>}	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH){1|N<3>,4|H<1>}	123.7840	0.000	1	123.7840	0.000	1	123.7840	0.000	1	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:P-4:	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO)	C[6](C[6]N[6]HH)(C[6]C[6]P)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO){1|N<3>,4|H<1>}	124.0070	0.000	1	124.0070	0.000	1	124.0070	0.000	1	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|N<3>,2|H<1>}	120.7545	4.259	2	120.7545	18.138	2	120.7545	18.138	2	123.6875	3.166	22	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	120.0525	0.011	2	120.0525	0.000	2	120.0525	0.000	2	122.6920	6.145	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	124.4590	0.000	1	124.4590	0.000	1	124.4590	0.000	1	122.6920	6.145	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HO)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]N[6]HO)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	122.6920	6.145	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	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])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){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])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	122.8680	0.054	2	122.8680	0.003	2	122.8680	0.003	2	122.6920	6.145	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]HO)(C[6]C[6,6a]H)(H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HO)(C[6]C[6,6a]H)(H){3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	126.9880	0.000	1	126.9880	0.000	1	126.9880	0.000	1	122.6920	6.145	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:4:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-2:O-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]Br)2(CC)(O)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(CC)(O){2|Br<1>,1|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<1>}	124.4737	0.455	4	124.4737	0.207	4	124.4737	0.207	4	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[6](C[6]N[5a,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OSi)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(OSi)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	123.7535	0.336	2	123.7535	0.113	2	123.7535	0.113	2	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6910	0.000	1	122.6910	0.000	1	122.7145	0.001	2	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.7380	0.000	1	122.7380	0.000	1	122.7145	0.001	2	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	124.2180	0.000	1	124.2180	0.000	1	124.2180	0.000	1	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]HO)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	125.0890	0.000	1	125.0890	0.000	1	125.0890	0.000	1	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.0470	0.000	1	122.0470	0.000	1	122.0470	0.000	1	123.6755	1.166	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	125.1030	0.247	2	125.1030	0.061	2	125.1030	0.061	2	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|O<2>}	120.9620	0.000	1	121.1060	0.041	2	121.1060	0.041	2	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,2|O<2>}	121.2500	0.000	1	121.1060	0.041	2	121.1060	0.041	2	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	116.7600	0.489	2	116.7600	0.239	2	116.7600	0.239	2	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	121.1277	11.395	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	124.3970	0.000	1	124.3970	0.000	1	124.3970	0.000	1	121.4560	17.299	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]OO)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,2|O<2>}	118.5150	0.000	1	118.5150	0.000	1	118.5150	0.000	1	121.4560	17.299	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]Br)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)2(CC)(OH){2|Br<1>,1|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	124.4802	0.209	5	124.4802	0.044	5	124.4802	0.044	5	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(CC)(OH){2|Cl<1>,1|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	124.3615	0.368	2	124.3615	0.136	2	124.3615	0.136	2	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:F-1:	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)2(CC)(OH){1|C<4>,2|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	125.2952	0.164	6	125.2952	0.027	6	125.2952	0.027	6	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>}	124.2773	0.175	3	124.2773	0.030	3	124.2773	0.030	3	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(CC)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	124.0140	0.621	4	124.0140	0.385	4	123.8325	0.206	8	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(CC)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	123.6095	0.035	2	123.6095	0.001	2	123.8325	0.206	8	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(CC)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	123.6925	0.131	2	123.6925	0.017	2	123.8325	0.206	8	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OSi)(CN)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OSi)(CN){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	123.7125	0.320	2	123.7125	0.103	2	123.7125	0.103	2	124.3774	0.418	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:2:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC){1|C<3>,1|H<1>,2|O<2>}	125.0700	0.166	4	125.0700	0.028	4	125.0700	0.028	4	125.0700	0.028	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:Br-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H){1|O<2>,5|C<3>}	121.6455	1.200	2	121.6455	1.440	2	121.6455	1.440	2	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H){1|S<2>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	120.2245	0.467	2	120.2245	0.218	2	120.2245	0.218	2	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H){1|C<4>,5|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](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|O<2>,2|C<4>,3|C<3>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	118.4390	0.000	1	118.4390	0.000	1	120.7913	0.842	21	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	119.4045	0.040	2	120.7095	0.736	12	120.7913	0.842	21	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.0113	0.750	8	120.7095	0.736	12	120.7913	0.842	21	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	120.8075	0.093	2	120.7095	0.736	12	120.7913	0.842	21	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	121.3240	0.966	2	121.2081	0.249	8	120.7913	0.842	21	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	121.1695	0.393	6	121.2081	0.249	8	120.7913	0.842	21	120.7858	0.845	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|H<1>,1|O<2>,4|C<3>}	122.0825	1.527	2	122.0825	2.331	2	122.0825	2.331	2	122.0825	2.331	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	123.6080	1.214	3	123.6080	1.474	3	123.6080	1.474	3	123.0087	2.419	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<4>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	123.0087	2.419	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:2:4:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.9270	0.000	1	123.9270	0.000	1	123.9270	0.000	1	123.9270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]C[5]H)(C[6]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]O[6]H)(H){1|C<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	123.6807	0.706	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	123.6807	0.706	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	123.3800	0.000	1	123.3800	0.000	1	123.2518	0.143	5	123.6807	0.706	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	123.2198	0.429	4	123.2198	0.184	4	123.2518	0.143	5	123.6807	0.706	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,3|C<3>}	123.9420	0.000	1	123.9420	0.000	1	123.9420	0.000	1	123.0953	2.123	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS){1|H<1>,3|C<3>}	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	123.0953	2.123	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-3:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|H<1>,2|N<3>}	123.9310	0.000	1	123.9310	0.000	1	123.9310	0.000	1	123.0953	2.123	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>}	125.4110	0.000	1	125.4110	0.000	1	125.4110	0.000	1	125.4110	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	125.1940	0.000	1	125.1940	0.000	1	125.1940	0.000	1	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H){1|S<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	124.2000	0.000	1	124.2000	0.000	1	124.2000	0.000	1	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	124.1680	0.000	1	125.0752	0.460	5	125.0752	0.460	5	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	125.7465	0.063	2	125.0752	0.460	5	125.0752	0.460	5	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	124.7620	0.000	1	125.0752	0.460	5	125.0752	0.460	5	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	124.9530	0.000	1	125.0752	0.460	5	125.0752	0.460	5	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<3>,2|H<1>}	123.4070	0.000	1	123.0160	0.306	2	123.0160	0.306	2	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	122.6250	0.000	1	123.0160	0.306	2	123.0160	0.306	2	124.5336	1.096	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	123.0990	0.075	2	123.0990	0.006	2	123.0990	0.006	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	124.3890	0.004	2	124.3890	0.000	2	124.3890	0.000	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	122.6800	0.806	2	122.6800	0.650	2	122.6800	0.650	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NCH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	120.7370	0.359	2	120.7370	0.129	2	121.5730	0.977	4	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]Fe)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NC[6a]Fe)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,2|H<1>}	122.4090	0.085	2	122.4090	0.007	2	121.5730	0.977	4	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	122.8110	0.000	1	122.8110	0.000	1	122.4777	4.180	3	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|Re<6>,1|H<1>,2|C<3>}	120.2870	0.000	1	120.2870	0.000	1	122.4777	4.180	3	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	124.3350	0.000	1	124.3350	0.000	1	122.4777	4.180	3	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.9520	0.000	1	122.9520	0.000	1	123.0384	1.533	5	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,3|C<3>}	121.8805	0.612	2	121.8805	0.374	2	123.0384	1.533	5	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	124.2395	0.431	2	124.2395	0.185	2	123.0384	1.533	5	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.6010	0.000	1	123.1450	4.768	2	123.1450	4.768	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	124.6890	0.000	1	123.1450	4.768	2	123.1450	4.768	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	121.8010	0.000	1	121.8010	0.000	1	121.8005	0.000	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	121.8000	0.000	1	121.8000	0.000	1	121.8005	0.000	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H){5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6630	0.000	1	120.6630	0.000	1	120.6630	0.000	1	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,2|C<3>}	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	117.9785	0.531	2	117.9785	0.282	2	117.9785	0.282	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	122.7680	0.000	1	121.4610	3.416	2	121.4610	3.416	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|H<1>,3|C<3>}	120.1540	0.000	1	121.4610	3.416	2	121.4610	3.416	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	122.7070	0.000	1	122.7070	0.000	1	122.7070	0.000	1	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|Cl<1>,3|C<3>}	117.7570	0.000	1	117.7570	0.000	1	117.7570	0.000	1	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	118.2250	0.000	1	117.9135	0.194	2	117.9135	0.194	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	117.6020	0.000	1	117.9135	0.194	2	117.9135	0.194	2	121.5985	4.871	33	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	122.4115	0.585	2	122.4115	0.342	2	122.4115	0.342	2	122.2875	0.913	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	122.2875	0.913	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|N<3>,3|C<3>,3|H<1>}	123.2440	0.000	1	123.2440	0.000	1	123.2440	0.000	1	122.2875	0.913	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]HN)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	C[6](C[6]C[6]HN)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(NOO)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	117.3725	0.579	2	117.3725	0.335	2	117.3725	0.335	2	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,5|C<3>}	122.8200	0.655	2	122.8200	0.429	2	122.6080	0.203	4	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	122.3960	0.000	2	122.3960	0.000	2	122.6080	0.203	4	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|H<1>,4|C<3>}	121.4380	0.000	1	121.4380	0.000	1	121.6950	0.132	2	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|S<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	121.9520	0.000	1	121.9520	0.000	1	121.6950	0.132	2	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	123.8103	0.867	3	123.8103	0.751	3	123.8103	0.751	3	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.5960	0.000	1	124.5960	0.000	1	124.5960	0.000	1	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	124.7360	0.340	3	124.7360	0.116	3	124.7360	0.116	3	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	123.3190	0.000	1	123.3190	0.000	1	123.3190	0.000	1	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O){1|C<4>,6|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	122.5624	5.188	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH){1|H<1>,2|O<1>,4|C<3>}	124.6040	0.000	1	124.6040	0.000	1	124.6040	0.000	1	123.7250	1.401	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	123.7250	1.401	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	124.1920	0.000	1	124.1920	0.000	1	124.1920	0.000	1	123.7250	1.401	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:Cl-1:	N[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H)	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,2|N<3>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	125.3450	0.000	1	125.3450	0.000	1	125.1215	0.100	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	124.8980	0.000	1	124.8980	0.000	1	125.1215	0.100	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	124.2595	0.968	2	124.2595	0.937	2	124.2595	0.937	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	118.2800	0.000	1	118.2800	0.000	1	120.7690	12.390	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	123.2580	0.000	1	123.2580	0.000	1	120.7690	12.390	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>,3|C<3>}	124.6370	0.458	2	124.6370	0.210	2	124.6370	0.210	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	123.9549	0.800	12	123.9549	0.641	12	123.9549	0.641	12	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.2420	0.637	5	123.2420	0.406	5	123.3597	0.400	7	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.6540	0.731	2	123.6540	0.535	2	123.3597	0.400	7	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	118.4510	1.008	2	118.4510	1.017	2	120.5702	5.255	5	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>,3|C<4>}	120.1560	0.000	1	120.1560	0.000	1	120.5702	5.255	5	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	122.8965	0.158	2	122.8965	0.025	2	120.5702	5.255	5	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2)(H){3|C<4>,6|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	124.3445	0.484	2	124.3445	0.235	2	124.3445	0.235	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.0520	0.000	1	124.0520	0.000	1	124.0520	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	124.4000	0.000	1	124.4000	0.000	1	123.8820	0.333	7	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	124.3585	0.658	2	124.3585	0.433	2	123.8820	0.333	7	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	123.5143	0.315	4	123.5143	0.099	4	123.8820	0.333	7	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[3,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H)	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	123.9170	0.806	2	123.9170	0.650	2	123.9170	0.650	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	122.9605	0.722	2	122.9605	0.521	2	122.9813	0.230	4	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.0020	0.410	2	123.0020	0.168	2	122.9813	0.230	4	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	122.2430	0.000	1	122.2430	0.000	1	121.5540	0.949	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.8650	0.000	1	120.8650	0.000	1	121.5540	0.949	2	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]O[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){2|O<2>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]O[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.6170	0.000	1	116.6170	0.000	1	116.6170	0.000	1	122.9627	3.998	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	120.2675	34.586	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	120.2675	34.586	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	125.1660	0.000	1	125.1660	0.000	1	125.3233	0.305	3	124.7862	1.357	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	125.4020	0.757	2	125.4020	0.572	2	125.3233	0.305	3	124.7862	1.357	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	123.1750	0.000	1	123.1750	0.000	1	123.1750	0.000	1	124.7862	1.357	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:Se[6]-2:	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){1|C<2>,2|H<1>,5|C<3>}	130.5070	0.000	1	130.5070	0.000	1	130.5070	0.000	1	130.5070	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	117.1590	0.000	1	117.2367	0.453	3	117.2367	0.453	3	117.2367	0.453	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|H<1>,1|O<2>,4|C<3>}	117.9450	0.000	1	117.2367	0.453	3	117.2367	0.453	3	117.2367	0.453	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	116.6060	0.000	1	117.2367	0.453	3	117.2367	0.453	3	117.2367	0.453	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]C[6a]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6,6]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]C[6a]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]C[6a]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	125.0365	0.016	2	125.0365	0.000	2	125.0365	0.000	2	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|O<2>,3|C<3>}	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	125.4105	0.265	2	125.4105	0.070	2	124.9520	0.304	4	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	124.4935	0.046	2	124.4935	0.002	2	124.9520	0.304	4	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	124.0135	0.199	2	124.0135	0.039	2	123.8035	3.006	56	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	124.1890	0.345	4	124.1890	0.119	4	123.8035	3.006	56	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.7692	1.888	47	123.7692	3.563	47	123.8035	3.006	56	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	123.6877	0.343	3	123.6877	0.118	3	123.8035	3.006	56	123.8359	3.201	64	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	2:3:4:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH)	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH){1|N<3>,3|C<3>}	125.1760	0.000	1	125.1760	0.000	1	125.1760	0.000	1	125.1760	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,3|C<3>}	123.5670	0.000	2	123.5670	0.000	2	123.5670	0.000	2	123.7456	0.279	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Se<2>,3|C<3>}	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	123.7456	0.279	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]H)(H){1|O<1>,6|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<2>,1|N<3>,4|C<3>}	123.4070	0.000	1	123.4070	0.000	1	124.0455	0.815	2	123.7456	0.279	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]H)(H){1|O<1>,6|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	124.6840	0.000	1	124.6840	0.000	1	124.0455	0.815	2	123.7456	0.279	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){1|C<2>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){2|H<1>,6|C<3>}	129.7990	0.235	2	129.7990	0.055	2	129.7990	0.055	2	126.2383	19.314	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Se-2:	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe)	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe){1|H<1>,3|C<3>}	124.5710	0.000	1	124.5710	0.000	1	124.5710	0.000	1	126.2383	19.314	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:2:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]S)(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]S)(H){1|S<4>,6|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|H<1>,1|N<3>,4|C<3>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	126.2383	19.314	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H){4|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	122.0057	2.412	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H){9|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	122.7840	1.090	2	122.7840	1.189	2	122.7840	1.189	2	122.0057	2.412	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H)	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H){1|O<1>,6|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	126.8110	0.412	2	126.8110	0.169	2	126.8110	0.169	2	123.9643	24.395	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){6|C<3>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	123.9643	24.395	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br)	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|Br<1>,2|C<4>,4|H<1>,6|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br){4|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	121.1600	0.063	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(I)	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|I<1>,2|C<4>,4|H<1>,6|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(I){4|C<3>}	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	121.1600	0.063	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	126.3660	0.000	1	126.3660	0.000	1	126.1850	0.025	3	126.1850	0.025	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	126.0680	0.000	1	126.0945	0.001	2	126.1850	0.025	3	126.1850	0.025	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	126.1210	0.000	1	126.0945	0.001	2	126.1850	0.025	3	126.1850	0.025	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	124.9215	0.228	2	124.9215	0.052	2	124.9215	0.052	2	123.5402	10.781	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.8477	0.331	3	124.8477	0.109	3	124.8477	0.109	3	123.5402	10.781	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){2|C<3>,2|C<4>}	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	123.5402	10.781	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:S[6]-2:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	128.2115	0.674	6	128.2115	0.454	6	128.2115	0.454	6	128.2115	0.454	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	123.3355	0.069	2	123.3355	0.005	2	123.3355	0.005	2	125.6989	18.235	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:S[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	128.7933	0.683	4	128.7933	0.467	4	128.7933	0.467	4	125.6989	18.235	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|C<3>}	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	125.6989	18.235	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	121.2490	6.537	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	119.7845	0.453	2	119.7845	0.205	2	119.7845	0.205	2	121.2490	6.537	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H)	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(BC[6a]3)(H)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(BC[6a]3)(H){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	124.7125	0.223	2	124.7125	0.050	2	124.7125	0.050	2	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>}	125.2230	0.000	1	125.2230	0.000	1	125.2230	0.000	1	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	121.5440	0.000	1	121.5440	0.000	1	121.8402	4.731	6	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	122.1790	0.000	1	122.1790	0.000	1	121.8402	4.731	6	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	124.2190	0.706	2	124.2190	0.498	2	121.8402	4.731	6	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	119.4400	0.337	2	119.4400	0.113	2	121.8402	4.731	6	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	122.7950	0.325	2	122.7950	0.106	2	119.2038	5.157	10	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CH3)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	118.3060	1.418	8	118.3060	2.010	8	119.2038	5.157	10	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PCCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(PCCH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|P<4>,2|H<1>}	122.1615	0.095	2	122.1615	0.009	2	119.9197	0.486	36	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]2N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.7366	0.221	12	119.7366	0.049	12	119.9197	0.486	36	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2Ni)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]2Ni)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.9582	0.248	6	119.9582	0.061	6	119.9197	0.486	36	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2Pd)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]2Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.9275	0.762	6	119.9275	0.580	6	119.9197	0.486	36	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]PtC)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]PtC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.7369	0.468	8	119.7369	0.219	8	119.9197	0.486	36	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6a]2C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6a]2C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.3695	0.612	2	119.3695	0.374	2	119.9197	0.486	36	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	122.6990	0.214	2	122.6990	0.046	2	123.0753	0.448	3	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,2|H<1>}	123.8280	0.000	1	123.8280	0.000	1	123.0753	0.448	3	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H){1|Si<4>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]CH)(C[6]C[6,6a]H)(H)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6,6a]H)(H){1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,2|H<1>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	120.4847	3.577	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|N<3>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<4>,1|H<1>,2|C<3>}	122.8085	0.046	2	122.8085	0.002	2	122.8085	0.002	2	122.8085	0.002	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]BH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(BC[6a]3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(PPdCC)	C[6](C[6]C[6]BH)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(PPdCC){1|B<4>,1|C<3>,2|H<1>}	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	127.8540	23.736	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]N[6]C)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(H){1|Ge<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2990	0.000	1	131.2990	0.000	1	131.2990	0.000	1	127.8540	23.736	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.3420	0.000	1	125.3420	0.000	1	125.3420	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.4450	0.657	3	124.4450	0.431	3	124.6607	0.238	7	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.7215	0.383	2	124.7215	0.146	2	124.6607	0.238	7	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.6660	0.000	1	124.6660	0.000	1	124.6607	0.238	7	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.1810	0.000	1	125.1810	0.000	1	124.6607	0.238	7	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(Cl)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCHH)(Cl){1|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.4613	0.380	4	117.4613	0.145	4	117.4613	0.145	4	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl){3|Cl<1>,1|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	124.1340	0.000	1	124.1340	0.000	1	124.1340	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	B[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]B[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]B[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.2830	0.000	1	124.2830	0.000	1	124.2830	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	120.9150	0.000	1	120.9150	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.3000	0.000	1	124.3000	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.4380	0.000	1	124.4380	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	112.0120	0.000	1	112.0120	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HW)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	123.1240	0.000	1	123.1240	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.6200	0.000	2	122.6200	0.000	2	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.6160	0.000	2	122.6160	0.000	2	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)2(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	124.7285	0.459	4	124.7285	0.211	4	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.8320	0.000	1	120.8320	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.0155	0.725	2	124.0155	0.525	2	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	124.4375	0.016	2	124.4375	0.000	2	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	133.9150	20.427	2	133.9150	417.258	2	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	121.9040	0.000	1	121.9040	0.000	1	123.8880	39.681	21	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	Si[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6](Si[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|Si<4>,2|H<1>}	C[6](Si[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.4755	1.131	2	127.4755	1.278	2	127.4755	1.278	2	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCHH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(NCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	123.1005	0.704	2	123.1005	0.495	2	123.1005	0.495	2	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SiC[5]CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(SiC[5]CC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	124.1010	0.114	4	124.1010	0.013	4	124.1010	0.013	4	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br){1|C<4>,1|H<1>,1|N<3>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	124.4450	0.000	1	124.4450	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.9830	1.433	4	122.9830	2.053	4	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	123.0960	0.000	1	123.0960	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	125.4780	0.000	1	125.4780	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	125.8120	0.475	2	125.8120	0.226	2	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	122.1330	0.000	1	122.1330	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	126.8100	0.000	1	126.8100	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]S[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	127.1350	0.000	1	127.1350	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|S<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	126.1780	0.000	1	126.1780	0.000	1	124.5255	3.554	13	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]S[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl)	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.1320	0.000	1	122.1320	0.000	1	120.2227	6.794	3	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.2680	2.850	2	119.2680	8.120	2	120.2227	6.794	3	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	121.9550	0.000	1	121.9550	0.000	1	119.6615	10.520	2	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.3680	0.000	1	117.3680	0.000	1	119.6615	10.520	2	123.2552	19.765	66	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]BH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN){1|B<4>,1|C<3>,2|H<1>}	123.7700	0.093	2	123.7700	0.009	2	123.7700	0.009	2	123.7700	0.009	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	B[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H)	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|C<4>,2|H<1>,3|C<3>}	127.0990	0.000	1	127.0990	0.000	1	127.0990	0.000	1	124.9233	1.250	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	124.8216	0.309	5	124.8216	0.095	5	124.8216	0.095	5	124.9233	1.250	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.3545	0.281	2	125.3545	0.079	2	125.1570	0.156	3	124.9233	1.250	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.7620	0.000	1	124.7620	0.000	1	125.1570	0.156	3	124.9233	1.250	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	124.9233	1.250	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.9360	0.000	1	124.9360	0.000	1	124.9360	0.000	1	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.9940	0.000	1	124.9940	0.000	1	124.9940	0.000	1	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>}	121.6900	0.000	1	121.6900	0.000	1	122.5140	0.929	6	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.6325	0.169	2	121.6325	0.029	2	122.5140	0.929	6	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(OO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CCHH)(OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.4675	0.323	2	123.4675	0.104	2	122.5140	0.929	6	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	123.1940	0.000	1	123.1940	0.000	1	122.5140	0.929	6	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	117.9140	0.000	1	117.9140	0.000	1	117.1607	0.520	3	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	116.7840	0.436	2	116.7840	0.190	2	117.1607	0.520	3	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.6245	0.779	2	117.6245	0.606	2	117.6070	1.310	7	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.2085	0.695	2	116.2085	0.483	2	117.6070	1.310	7	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CH3)(OC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<2>,3|C<4>}	118.5277	0.397	3	118.5277	0.158	3	117.6070	1.310	7	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|S<2>,3|C<4>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	119.9116	9.273	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(CH3)(OH){3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H){1|C<4>,1|O<2>,2|C<3>}	117.4530	0.000	1	117.4530	0.000	1	116.8573	0.538	3	116.8573	0.538	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(CH3)(OH){3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	116.0380	0.000	1	116.0380	0.000	1	116.8573	0.538	3	116.8573	0.538	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	117.0810	0.000	1	117.0810	0.000	1	116.8573	0.538	3	116.8573	0.538	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.4380	0.000	1	124.2164	0.162	5	124.2164	0.162	5	121.5394	10.276	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	124.1610	0.443	4	124.2164	0.162	5	124.2164	0.162	5	121.5394	10.276	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	118.4093	0.437	3	118.4093	0.191	3	118.4093	0.191	3	121.5394	10.276	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6]O)2(SiC3)	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)2(SiC3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	121.5394	10.276	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHS)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(CHHS)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.4772	0.351	4	123.4772	0.123	4	123.4772	0.123	4	123.4772	0.123	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:C-3:	S[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C[6](S[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	136.5270	0.000	1	136.5270	0.000	1	136.5270	0.000	1	136.5270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.9660	0.000	1	123.9660	0.000	1	123.9660	0.000	1	123.4409	4.575	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	124.1970	0.000	1	125.0505	1.457	2	124.3997	1.113	4	123.4409	4.575	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.9040	0.000	1	125.0505	1.457	2	124.3997	1.113	4	123.4409	4.575	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CCHH)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.7490	0.434	2	123.7490	0.188	2	124.3997	1.113	4	123.4409	4.575	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	123.5680	0.000	1	123.5680	0.000	1	123.5680	0.000	1	123.4409	4.575	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>}	118.9530	0.000	1	118.9530	0.000	1	118.9530	0.000	1	123.4409	4.575	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	118.6540	0.597	2	118.6540	0.356	2	118.6540	0.356	2	118.6540	0.356	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	124.7935	0.125	2	124.7935	0.016	2	124.7935	0.016	2	124.0608	0.410	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.9795	0.053	2	123.9795	0.003	2	123.9795	0.003	2	124.0608	0.410	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(NCC)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2(CCHH)(NCC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.4095	0.308	2	123.4095	0.095	2	123.4095	0.095	2	124.0608	0.410	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	121.4585	0.651	2	121.4585	0.424	2	121.4585	0.424	2	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	127.5360	0.235	2	127.5360	0.055	2	127.5360	0.055	2	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|C<4>}	122.5740	0.000	1	122.5740	0.000	1	124.4160	1.430	6	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|S<2>,3|C<4>}	126.3020	0.000	1	126.3020	0.000	1	124.4160	1.430	6	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,2|C<4>}	124.2565	0.045	2	124.2565	0.002	2	124.4160	1.430	6	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	124.5535	0.330	2	124.5535	0.109	2	124.4160	1.430	6	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	116.2023	0.867	3	116.2023	0.751	3	116.2023	0.751	3	122.5455	16.917	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,3|C<4>}	121.8337	0.271	6	121.8337	0.073	6	121.8337	0.073	6	121.2084	1.409	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){2|C<3>,2|C<4>}	119.3325	0.332	2	119.3325	0.110	2	119.3325	0.110	2	121.2084	1.409	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,3|C<4>}	118.4180	1.161	3	118.4180	1.348	3	118.4180	1.348	3	118.6114	1.091	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	118.6114	1.091	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH)2	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	119.4260	0.336	3	119.4260	0.113	3	118.6602	1.382	6	118.6114	1.091	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	117.8943	1.258	3	117.8943	1.583	3	118.6602	1.382	6	118.6114	1.091	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH){1|Ni<4>,1|C<3>,2|C<4>}	126.6700	0.000	1	126.6700	0.000	1	125.0109	1.122	17	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	125.2310	0.004	2	124.6098	1.102	11	125.0109	1.122	17	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	124.4718	1.122	9	124.6098	1.102	11	125.0109	1.122	17	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ni<4>,1|C<3>,2|C<4>}	125.0340	0.000	1	125.0340	0.000	1	125.0109	1.122	17	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(CCHH)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	125.3790	0.263	2	125.3790	0.069	2	125.0109	1.122	17	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6]HH)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CC[6]HH)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	126.0075	0.301	2	126.0075	0.090	2	125.0109	1.122	17	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CS)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]CS)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	124.3385	0.220	2	124.3385	0.048	2	124.3385	0.048	2	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	123.7456	1.077	18	123.7456	1.160	18	123.7456	1.160	18	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	119.5825	0.274	2	119.5825	0.075	2	119.0820	0.764	6	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	118.8317	0.999	4	118.8317	0.998	4	119.0820	0.764	6	123.5454	4.898	44	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	126.3430	0.000	1	126.3430	0.000	1	126.3430	0.000	1	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	125.8720	0.000	1	125.8720	0.000	1	125.8720	0.000	1	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pd<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6](P[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	125.2000	0.000	1	125.2000	0.000	1	126.8892	2.581	4	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]Pt)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pt<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6](P[6]C[6,6a]C[6a]Pt)(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	127.4523	1.403	3	127.4523	1.969	3	126.8892	2.581	4	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	129.4120	0.000	1	129.4120	0.000	1	128.0040	5.198	4	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|Pd<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	125.4830	0.000	1	125.4830	0.000	1	128.0040	5.198	4	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|Pt<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6,6a]C[6a]Pt)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	128.5605	2.576	2	128.5605	6.636	2	128.0040	5.198	4	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	124.9850	0.000	1	124.9850	0.000	1	124.6230	0.128	5	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CHHO)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	124.5325	0.342	4	124.5325	0.117	4	124.6230	0.128	5	126.3269	3.649	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2{1|C<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|N<3>,4|C<4>}	124.6030	0.000	1	124.6030	0.000	1	124.6030	0.000	1	124.6030	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H){1|O<1>,1|P<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|H<1>,1|P<4>,3|C<3>}	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<4>,6|C<3>}	130.4560	0.740	2	130.4560	0.547	2	130.4560	0.547	2	130.4560	0.547	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	P[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH){2|C<4>,4|C<3>}	130.8540	0.000	1	130.8540	0.000	1	130.8540	0.000	1	130.8540	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	119.7790	0.000	1	119.9442	0.114	5	119.9442	0.114	5	119.9442	0.114	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>,2|H<1>}	119.9855	0.375	4	119.9442	0.114	5	119.9442	0.114	5	119.9442	0.114	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	121.5360	0.000	1	121.5360	0.000	1	121.3600	0.062	2	121.3600	0.062	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	121.1840	0.000	1	121.1840	0.000	1	121.3600	0.062	2	121.3600	0.062	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.3740	0.000	1	121.3740	0.000	1	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.0760	0.000	1	122.5735	0.495	2	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.0710	0.000	1	122.5735	0.495	2	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CNO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CNO){1|H<1>,2|C<3>,2|C<4>}	122.6710	0.000	1	122.6710	0.000	1	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|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>}	122.7710	0.000	1	121.4570	3.453	2	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	120.1430	0.000	1	121.4570	3.453	2	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COS)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COS){1|C<4>,2|C<3>,2|H<1>}	122.2960	0.000	1	122.2960	0.000	1	122.0574	1.017	7	122.0574	1.017	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.5910	0.000	1	120.5910	0.000	1	120.4127	0.039	3	120.4127	0.039	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.3235	0.175	2	120.3235	0.031	2	120.4127	0.039	3	120.4127	0.039	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7600	0.000	1	120.7600	0.000	1	120.7600	0.000	1	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	121.5075	0.247	2	121.5075	0.061	2	121.3065	0.319	4	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.7110	0.000	1	121.7110	0.000	1	121.3065	0.319	4	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	120.5000	0.000	1	120.5000	0.000	1	121.3065	0.319	4	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.0680	0.000	1	122.4280	0.259	2	122.4280	0.259	2	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,3|H<1>}	122.7880	0.000	1	122.4280	0.259	2	122.4280	0.259	2	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8880	0.000	1	120.8880	0.000	1	120.8880	0.000	1	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]H)(H){1|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	128.3200	0.000	1	128.3200	0.000	1	128.3200	0.000	1	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.7230	0.338	2	115.7230	0.114	2	115.7230	0.114	2	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	116.1480	0.000	1	116.1480	0.000	1	116.1480	0.000	1	120.6370	12.463	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.6500	0.864	3	121.6500	0.746	3	121.9562	0.873	4	123.7422	8.425	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.8750	0.000	1	122.8750	0.000	1	121.9562	0.873	4	123.7422	8.425	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H){3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	127.3140	1.110	2	127.3140	1.232	2	127.3140	1.232	2	123.7422	8.425	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.2768	1.610	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.0390	0.000	1	121.0390	0.000	1	121.4100	2.318	4	121.2768	1.610	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.0900	0.000	1	123.0900	0.000	1	121.4100	2.318	4	121.2768	1.610	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.0080	0.000	1	122.0080	0.000	1	121.4100	2.318	4	121.2768	1.610	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.5030	0.000	1	119.5030	0.000	1	121.4100	2.318	4	121.2768	1.610	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]HP)(C[6]C[6]N)(H)	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]HP)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,1|P<4>,2|H<1>}	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	121.2768	1.610	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.7550	0.000	1	120.7550	0.000	1	122.9300	9.461	2	118.6826	25.760	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.1050	0.000	1	125.1050	0.000	1	122.9300	9.461	2	118.6826	25.760	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	118.2120	0.000	2	118.2120	0.000	2	118.2120	0.000	2	118.6826	25.760	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	111.1290	0.000	1	111.1290	0.000	1	111.1290	0.000	1	118.6826	25.760	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:4:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	125.8840	0.000	1	125.8840	0.000	1	126.8295	0.476	4	126.8295	0.476	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:4:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	127.1765	0.479	2	127.1765	0.229	2	126.8295	0.476	4	126.8295	0.476	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:4:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	127.0810	0.000	1	127.0810	0.000	1	126.8295	0.476	4	126.8295	0.476	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.0890	0.000	1	124.0890	0.000	1	124.0890	0.000	1	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	117.5200	0.000	1	117.5200	0.000	1	120.1427	12.438	3	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	118.7560	0.000	1	118.7560	0.000	1	120.1427	12.438	3	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.1520	0.000	1	124.1520	0.000	1	120.1427	12.438	3	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.1950	0.000	1	124.1950	0.000	1	123.8150	0.289	2	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.4350	0.000	1	123.4350	0.000	1	123.8150	0.289	2	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.8810	0.000	1	124.8810	0.000	1	124.8810	0.000	1	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9910	0.000	1	121.9910	0.000	1	121.9910	0.000	1	122.1453	7.539	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC){1|C<4>,2|H<1>,4|C<3>}	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	119.3745	3.128	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	119.3745	3.128	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	123.0680	0.000	1	123.0680	0.000	1	123.0680	0.000	1	123.0680	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	124.9950	0.000	1	124.9950	0.000	1	125.1487	0.190	3	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	125.6400	0.000	1	125.6400	0.000	1	125.1487	0.190	3	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	124.8110	0.000	1	124.8110	0.000	1	125.1487	0.190	3	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>,2|H<1>}	118.7090	0.185	2	118.7090	0.034	2	123.1773	8.619	8	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH){1|C<3>,2|C<4>,2|H<1>}	125.6750	0.000	1	125.6750	0.000	1	123.1773	8.619	8	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.9345	0.250	2	125.0015	0.028	4	123.1773	8.619	8	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	125.0685	0.064	2	125.0015	0.028	4	123.1773	8.619	8	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,3|H<1>}	122.3190	0.000	1	122.3190	0.000	1	123.1773	8.619	8	123.7149	6.919	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:2:	3:4:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	120.0890	0.000	1	120.0890	0.000	1	123.7997	11.162	3	123.7997	11.162	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:2:	3:4:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	125.6550	1.293	2	125.6550	1.671	2	123.7997	11.162	3	123.7997	11.162	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	124.3960	1.378	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.5660	0.000	1	123.5660	0.000	1	123.5660	0.000	1	124.3960	1.378	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	125.3870	0.000	1	125.3870	0.000	1	122.5807	5.922	3	121.8153	6.291	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,3|C<4>}	121.1775	0.175	2	121.1775	0.031	2	122.5807	5.922	3	121.8153	6.291	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	119.5190	0.000	1	119.5190	0.000	1	119.5190	0.000	1	121.8153	6.291	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:2:	C[6]-4:C[6]-3:Br-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,2|C<3>,2|C<4>}	125.8390	0.000	1	125.8390	0.000	1	125.8390	0.000	1	125.8390	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){3|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.2260	0.000	1	122.2260	0.000	1	123.1160	1.584	2	123.1160	1.584	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,4|C<3>}	124.0060	0.000	1	124.0060	0.000	1	123.1160	1.584	2	123.1160	1.584	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	3:4:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H){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](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:2:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H){2|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){2|C<4>,3|H<1>}	122.2590	0.000	1	122.2590	0.000	1	122.2590	0.000	1	122.2590	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCO){1|C<4>,4|H<1>}	122.1130	0.000	1	122.1130	0.000	1	122.4974	2.145	5	122.4974	2.145	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,1|O<2>,3|H<1>}	122.5935	1.673	4	122.5935	2.798	4	122.4974	2.145	5	122.4974	2.145	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>}	122.2900	0.000	1	122.2900	0.000	1	122.2785	0.073	4	122.2785	0.073	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	121.9250	0.000	1	121.9250	0.000	1	122.2785	0.073	4	122.2785	0.073	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.2785	0.073	4	122.2785	0.073	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){2|C<4>,3|H<1>}	122.3190	0.000	1	122.3190	0.000	1	122.2785	0.073	4	122.2785	0.073	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	125.5820	0.000	1	125.5820	0.000	1	125.5820	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[3,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6,6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3,5,6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	125.0540	0.000	1	125.0540	0.000	1	125.0540	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	121.8855	0.281	2	121.8855	0.079	2	121.8855	0.079	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,3x6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,3x6]HH)(C[6]N[5,6]O)(H){4|C<4>}	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,4|H<1>}	117.0460	0.000	1	117.0460	0.000	1	117.0460	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.9110	0.000	1	122.9110	0.000	1	122.9110	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]H)(H)	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	124.7400	0.000	1	124.7400	0.000	1	124.7400	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7470	0.000	1	123.7470	0.000	1	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	120.2290	0.000	1	120.2290	0.000	1	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	124.3070	0.000	1	124.3070	0.000	1	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.2295	0.159	2	122.8383	1.651	4	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.9160	0.000	1	122.8383	1.651	4	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	120.9780	0.000	1	122.8383	1.651	4	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	120.8860	0.000	1	120.8860	0.000	1	122.5652	2.566	8	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6180	0.464	3	122.6180	0.215	3	122.6180	0.215	3	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]FF)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|F<1>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,1|F<1>,1|H<1>}	119.5180	0.215	2	119.5180	0.046	2	119.5180	0.046	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	B[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](B[6]N[6]N)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]B[6]H)(H){2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,1|H<1>}	C[6](B[6]N[6]N)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	122.9520	0.000	1	122.9520	0.000	1	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	123.1370	0.000	1	123.1370	0.000	1	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,3|H<1>}	120.4695	0.118	2	120.4695	0.014	2	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.8310	0.000	1	111.8310	0.000	1	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	123.4695	0.499	2	123.9907	1.242	7	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	123.1400	0.000	1	123.9907	1.242	7	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	125.3650	1.329	2	123.9907	1.242	7	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Si<4>,1|C<4>,3|H<1>}	123.4510	0.000	1	123.9907	1.242	7	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	123.6750	0.000	1	123.9907	1.242	7	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,3|H<1>}	123.3815	6.694	2	123.3815	44.812	2	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	121.7230	0.000	1	121.7230	0.000	1	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	117.9800	0.000	1	117.9800	0.000	1	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	120.6701	0.436	7	120.6701	0.191	7	121.6500	10.049	23	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>}	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]B[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]B[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	121.4685	1.194	2	121.4685	1.426	2	121.4685	1.426	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(O)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(O)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	116.9025	1.392	2	116.9025	1.938	2	116.9025	1.938	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|O<2>}	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.9795	0.209	2	116.9795	0.044	2	117.1660	0.126	3	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	117.5390	0.000	1	117.5390	0.000	1	117.1660	0.126	3	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	120.1030	0.000	1	120.1030	0.000	1	120.1030	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[4,6,6]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[4,6,6]O[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]Cl2)(C[6]C[6]H)(O)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,5,6,6]Cl2)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|C<4>}	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.4000	0.000	1	117.4000	0.000	1	117.4000	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	116.2630	0.574	2	116.2630	0.330	2	116.2630	0.330	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	116.8892	0.494	5	116.8892	0.244	5	116.8892	0.244	5	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.2370	0.346	2	117.4278	0.996	4	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	116.9710	0.000	1	117.4278	0.996	4	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.2660	0.000	1	117.4278	0.996	4	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.8170	0.000	1	116.8170	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	116.4500	0.000	1	116.4500	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	116.2430	0.000	1	116.2430	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	115.7990	0.000	1	115.7990	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	117.6110	0.426	2	117.6110	0.181	2	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	116.2740	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	114.9610	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.6350	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	116.5190	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.9220	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.7960	0.493	5	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.5040	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.4900	0.192	2	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.9890	0.000	1	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.7458	0.431	4	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	115.8246	0.454	5	116.5596	0.694	23	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.7930	0.000	1	116.7930	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	114.5680	0.000	1	114.9093	0.094	3	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	115.1640	0.000	1	114.9093	0.094	3	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	114.9960	0.000	1	114.9093	0.094	3	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.3340	0.515	2	116.8987	1.089	3	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	118.0280	0.000	1	116.8987	1.089	3	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.9370	1.327	2	115.9370	1.760	2	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.4780	0.000	1	119.4780	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	119.2510	0.000	1	119.2510	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	114.5790	0.000	1	114.5790	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>}	117.3390	0.000	1	117.3390	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	113.5100	0.000	1	113.5100	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	115.3640	0.000	1	115.3640	0.000	1	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	115.3880	0.532	3	115.3880	0.283	3	116.4880	1.467	51	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(O)	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){2|C<4>,3|H<1>}	113.4925	0.636	2	113.4925	0.404	2	113.4925	0.404	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	114.5300	0.000	1	114.5995	0.010	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	114.6690	0.000	1	114.5995	0.010	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.4180	0.000	1	115.4180	0.000	1	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	118.5440	0.000	1	118.5440	0.000	1	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.4050	0.000	1	116.4050	0.000	1	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	115.7695	0.276	2	115.7695	0.076	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	118.5200	0.000	1	118.5200	0.000	1	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.5830	0.164	4	116.5416	0.169	13	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	116.4360	0.652	5	116.5416	0.169	13	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	116.5200	0.000	1	116.5416	0.169	13	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|S<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.9130	0.000	1	116.5416	0.169	13	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.5480	0.212	2	116.5416	0.169	13	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.2830	0.000	1	118.4590	0.062	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	118.6350	0.000	1	118.4590	0.062	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.3740	0.000	2	117.3740	0.000	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.0260	0.000	1	117.0105	0.000	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	116.9950	0.000	1	117.0105	0.000	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.2190	0.000	1	116.3935	0.061	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.5680	0.000	1	116.3935	0.061	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	116.2360	0.000	1	116.2360	0.000	1	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.2310	0.000	1	117.3185	0.015	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	117.4060	0.000	1	117.3185	0.015	2	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	115.4280	0.000	1	115.4280	0.000	1	116.6497	0.987	33	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(O){4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,3|H<1>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O){1|C<4>,3|O<2>}	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	119.5550	2.096	2	119.5550	4.393	2	119.5550	4.393	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	115.3685	0.579	2	115.3685	0.335	2	115.3685	0.335	2	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(Br){1|C<4>,4|H<1>}	115.9840	0.000	1	115.9840	0.000	1	114.1617	2.496	4	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br){1|C<4>,2|H<1>,3|C<3>}	114.9150	0.000	1	114.9150	0.000	1	114.1617	2.496	4	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br){1|C<4>,2|C<3>,2|H<1>}	112.8740	0.533	2	112.8740	0.284	2	114.1617	2.496	4	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<4>,3|H<1>}	116.2030	0.000	1	116.2030	0.000	1	115.3677	0.974	3	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>}	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.9500	0.949	2	114.9500	0.900	2	115.3677	0.974	3	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.8901	0.892	19	117.8901	0.796	19	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.5470	0.000	1	116.5470	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	115.7720	0.000	1	115.7720	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	117.7240	0.000	1	117.7240	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	117.1860	0.000	1	117.1860	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.6710	0.000	1	116.6710	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	116.1255	0.028	2	115.9060	0.127	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	115.6865	0.433	2	115.9060	0.127	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	117.2490	0.000	1	117.2490	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	116.4270	0.000	1	116.4270	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.9245	0.501	2	116.9991	0.217	10	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	117.0630	0.000	1	116.9991	0.217	10	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	117.2600	0.000	1	116.9991	0.217	10	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.3260	0.525	2	116.9991	0.217	10	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	117.2917	0.176	4	116.9991	0.217	10	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.5794	0.582	17	118.5794	0.339	17	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	117.4261	1.052	9	117.4261	1.106	9	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	118.4365	0.479	2	118.4365	0.229	2	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	116.7080	0.000	1	116.8205	0.025	2	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	116.9330	0.000	1	116.8205	0.025	2	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	119.2850	1.186	4	119.2850	1.407	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	117.3470	0.000	1	117.3470	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	119.5140	0.000	1	119.5140	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	117.1900	0.000	1	117.1900	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.0370	0.000	1	117.0370	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	117.4580	0.000	2	117.4580	0.000	2	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.0725	0.943	2	116.6156	0.376	8	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.7967	0.437	6	116.6156	0.376	8	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	116.0490	0.000	1	116.0180	0.461	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.0025	0.960	2	116.0180	0.461	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.4931	0.558	7	118.4931	0.311	7	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	119.4970	0.885	2	118.6688	1.368	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	117.3040	0.000	1	118.6688	1.368	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.3770	0.000	1	118.6688	1.368	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	117.5110	0.000	1	117.5110	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	118.0350	0.000	1	118.0350	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	117.5510	0.000	1	117.5510	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.1710	0.000	1	119.1710	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	114.1390	0.000	1	114.1390	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	114.2070	0.000	1	114.4567	0.164	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<3>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	114.5815	0.484	2	114.4567	0.164	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	117.3685	0.281	2	117.3685	0.079	2	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	114.8800	0.000	1	116.5782	1.703	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.5140	0.000	1	116.5782	1.703	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	118.0370	0.000	1	116.5782	1.703	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	116.8820	0.000	1	116.5782	1.703	4	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	116.1610	0.000	1	116.1610	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	117.2530	0.000	1	117.2530	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	113.7650	0.000	1	113.7650	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	114.3950	0.000	1	114.3950	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	114.2215	0.709	2	114.6100	0.704	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	115.3870	0.000	1	114.6100	0.704	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	114.6110	0.000	1	113.9687	0.314	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	113.6475	0.097	2	113.9687	0.314	3	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	115.0090	0.000	1	115.0090	0.000	1	117.2890	2.166	127	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(I){1|C<4>,4|H<1>}	117.4150	0.000	1	117.4150	0.000	1	114.3366	2.756	7	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<4>,1|O<1>,2|H<1>}	115.0090	0.000	1	115.0090	0.000	1	114.3366	2.756	7	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(I){1|C<3>,1|C<4>,2|H<1>}	112.7355	0.022	2	112.7355	0.000	2	114.3366	2.756	7	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(I){1|C<4>,2|H<1>,3|C<3>}	114.6275	0.175	2	114.6275	0.031	2	114.3366	2.756	7	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(I){1|C<4>,2|C<3>,2|H<1>}	113.2060	0.000	1	113.2060	0.000	1	114.3366	2.756	7	117.6553	6.621	302	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br)	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2{1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,4|H<1>}	123.0870	0.000	1	123.0870	0.000	1	121.5720	4.590	2	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	120.0570	0.000	1	120.0570	0.000	1	121.5720	4.590	2	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	118.9290	0.000	1	118.9290	0.000	1	116.5431	1.087	12	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	116.5300	0.000	1	116.5300	0.000	1	116.5431	1.087	12	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,2|H<1>}	116.8650	0.000	1	116.8650	0.000	1	116.5431	1.087	12	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	116.2437	0.818	9	116.2437	0.669	9	116.5431	1.087	12	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	115.3000	0.000	1	115.3795	0.013	2	116.9280	2.091	5	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	115.4590	0.000	1	115.3795	0.013	2	116.9280	2.091	5	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|C<4>,3|H<1>}	117.4730	0.000	1	117.4730	0.000	1	116.9280	2.091	5	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|H<1>,3|C<4>}	118.2040	0.031	2	118.2040	0.001	2	116.9280	2.091	5	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-2:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	115.3270	0.216	2	115.4082	0.115	5	115.4082	0.115	5	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-2:	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	115.4623	0.441	3	115.4082	0.115	5	115.4082	0.115	5	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NO){1|C<4>,4|H<1>}	118.2030	0.000	1	118.2030	0.000	1	117.4894	0.560	14	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]O)2(NN){1|C<4>,4|H<1>}	117.3817	0.757	12	117.4345	0.561	13	117.4894	0.560	14	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]O)2(NN){1|C<4>,4|H<1>}	118.0680	0.000	1	117.4345	0.561	13	117.4894	0.560	14	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	116.6720	0.000	1	116.6720	0.000	1	116.6270	0.844	4	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,4|H<1>}	117.7970	0.000	1	117.7970	0.000	1	116.6270	0.844	4	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(OC){1|C<4>,4|H<1>}	116.4790	0.000	1	116.4790	0.000	1	116.6270	0.844	4	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	115.5600	0.000	1	115.5600	0.000	1	116.6270	0.844	4	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]O)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2{1|H<1>,1|S<2>,5|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]O)(SC[6a]){1|C<4>,3|H<1>}	114.9840	0.000	1	114.9840	0.000	1	116.8088	1.540	13	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6])	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6]){1|C<4>,4|H<1>}	118.2025	0.271	2	118.2025	0.073	2	116.8088	1.540	13	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(SC[6])	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]O)2(SC[6]){1|C<4>,4|H<1>}	119.4640	0.000	1	119.4640	0.000	1	116.8088	1.540	13	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]){1|C<4>,4|H<1>}	116.4069	0.580	9	116.4069	0.337	9	116.8088	1.540	13	117.1423	3.801	56	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC){1|C<4>,1|S<4>,2|H<1>}	124.1360	0.201	2	124.1360	0.040	2	123.3763	1.751	3	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO){2|C<4>,2|H<1>}	121.8570	0.000	1	121.8570	0.000	1	123.3763	1.751	3	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(OLiC)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(OLiC){1|C<4>,4|H<1>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.4310	0.000	1	115.4310	0.000	1	115.4310	0.000	1	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	118.7540	0.000	1	118.7540	0.000	1	116.8240	3.830	3	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	114.8410	0.000	1	114.8410	0.000	1	116.8240	3.830	3	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC){2|C<3>,2|C<4>,2|H<1>}	116.8770	0.000	1	116.8770	0.000	1	116.8240	3.830	3	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O){1|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	115.7750	1.560	2	115.7750	2.433	2	115.7750	2.433	2	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO){2|C<4>,2|H<1>}	114.2915	0.353	2	114.2915	0.125	2	114.2915	0.125	2	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	113.9310	0.000	1	113.9310	0.000	1	113.9310	0.000	1	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	117.4718	0.418	4	117.4718	0.174	4	117.4718	0.174	4	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	115.4630	0.000	1	115.4630	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	120.5661	1.141	9	120.5661	1.301	9	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CCH){1|C<4>,4|H<1>}	118.6200	0.038	2	118.6200	0.001	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[5a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[5a]N){1|C<4>,4|H<1>}	118.2720	0.909	6	118.2720	0.826	6	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	118.5555	0.032	2	118.5555	0.001	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]N){1|C<4>,4|H<1>}	118.8020	0.545	6	118.8020	0.297	6	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CNO){1|C<4>,4|H<1>}	117.5300	0.000	1	117.5300	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CSS){1|C<4>,4|H<1>}	118.8160	1.240	2	118.8160	1.538	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	118.6710	0.000	1	118.6710	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	115.9680	0.000	1	115.9680	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(CCH){1|C<4>,3|H<1>}	116.7630	0.000	1	116.7630	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CCN){1|C<4>,4|H<1>}	119.1140	0.091	2	119.1140	0.008	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	123.2920	0.000	1	123.2920	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	116.9800	0.057	2	116.9800	0.003	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	117.4395	0.269	2	117.4395	0.073	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	118.4840	0.000	1	118.4840	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	114.2170	0.581	2	114.2170	0.338	2	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	118.2320	0.000	1	118.2320	0.000	1	118.5913	3.431	43	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	119.8182	0.875	10	119.8182	0.765	10	119.4294	0.791	16	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(C[6]N[6]2){1|C<4>,2|C<3>,6|H<1>}	118.7815	0.436	6	118.7815	0.190	6	119.4294	0.791	16	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC){2|C<4>,2|H<1>}	114.4010	0.000	1	114.4010	0.000	1	114.7360	0.224	2	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC){2|C<4>,2|H<1>}	115.0710	0.000	1	115.0710	0.000	1	114.7360	0.224	2	118.4569	4.964	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	124.2900	0.000	1	124.2900	0.000	1	124.2900	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	126.5440	0.000	1	126.5440	0.000	1	126.5440	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	124.9300	0.431	2	124.9300	0.186	2	124.9300	0.186	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	125.8920	0.000	1	125.8920	0.000	1	125.8920	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.0890	0.000	1	125.0890	0.000	1	124.5600	0.560	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	124.0310	0.000	1	124.0310	0.000	1	124.5600	0.560	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	125.3930	0.000	1	125.3930	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	124.8480	0.932	2	124.8480	0.869	2	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH){1|C<4>,2|H<1>}	122.6560	0.260	2	122.6560	0.068	2	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	121.0890	0.844	2	121.0890	0.713	2	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	112.2090	0.000	1	112.2090	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,4|H<1>}	125.8100	0.448	2	125.8100	0.201	2	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	125.5570	1.632	2	125.1184	0.778	9	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	124.5473	0.633	4	125.1184	0.778	9	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	125.5530	0.000	2	125.1184	0.778	9	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	125.6570	0.000	1	125.1184	0.778	9	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	124.8670	0.000	1	124.8670	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	124.8940	0.000	1	124.8940	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	116.9460	0.000	1	116.9460	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	125.6020	0.000	1	125.6020	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	125.0950	0.000	1	125.0950	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	121.5790	0.000	1	121.5790	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	121.5130	0.000	1	121.5130	0.000	1	123.5758	10.052	26	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	119.9390	0.000	1	119.9390	0.000	1	122.7030	7.824	4	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	120.6550	0.000	1	120.6550	0.000	1	122.7030	7.824	4	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	125.1090	0.245	2	125.1090	0.060	2	122.7030	7.824	4	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Li<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	121.3610	0.000	2	121.3610	0.000	2	121.3610	0.000	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]P[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]P[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<3>}	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	127.1815	0.107	2	127.1815	0.011	2	127.1815	0.011	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	117.7350	0.000	1	118.0620	0.214	2	118.0620	0.214	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	118.3890	0.000	1	118.0620	0.214	2	118.0620	0.214	2	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O){1|C<4>,1|C<6>,2|H<1>}	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|C<6>,3|H<1>}	121.2160	0.000	1	121.2160	0.000	1	121.2160	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	116.2710	0.000	1	116.2710	0.000	1	116.2710	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	117.0840	0.000	1	117.0840	0.000	1	117.4405	1.214	4	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	118.9670	0.000	1	118.9670	0.000	1	117.4405	1.214	4	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>}	116.8555	0.706	2	116.8555	0.499	2	117.4405	1.214	4	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	115.0170	0.000	1	115.0170	0.000	1	115.0170	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	117.5110	0.000	1	117.5110	0.000	1	117.6220	1.333	10	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	117.9370	0.000	1	117.3330	0.955	4	117.6220	1.333	10	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	117.1317	1.090	3	117.3330	0.955	4	117.6220	1.333	10	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO){2|H<1>,3|C<4>}	117.2630	0.873	2	117.2630	0.761	2	117.6220	1.333	10	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	117.2930	0.750	2	117.2930	0.562	2	117.6220	1.333	10	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	120.2650	0.000	1	120.2650	0.000	1	117.6220	1.333	10	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	116.4090	0.000	1	116.4090	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	117.7195	0.144	2	117.7195	0.021	2	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	117.7270	0.000	1	117.7270	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	119.0520	1.288	2	119.0520	1.660	2	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	119.2340	0.666	2	119.2340	0.444	2	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	118.4102	0.694	6	118.4102	0.482	6	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[3]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[3]HH){1|C<4>,4|H<1>}	119.4160	0.000	1	119.4160	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	121.4713	0.305	10	121.4713	0.093	10	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	120.3430	0.368	2	120.3430	0.135	2	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	120.2790	0.000	1	120.2790	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	119.2653	0.837	3	119.2653	0.701	3	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	122.2780	0.000	1	122.2780	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	119.4640	0.000	2	119.4640	0.000	2	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	117.6770	0.000	1	117.6770	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	116.8635	3.878	2	117.1723	7.807	3	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	117.7900	0.000	1	117.1723	7.807	3	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	119.8520	0.000	1	119.8520	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	118.7740	0.000	1	118.7740	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	118.5810	0.000	1	118.5810	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	117.7830	0.000	1	117.7830	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	116.9460	0.000	1	116.9460	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	116.8960	0.000	1	116.8960	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	116.7550	0.000	1	116.7550	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	118.7350	0.000	1	118.7350	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	120.1610	0.000	1	120.1610	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	117.9880	0.000	1	117.9880	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	121.0243	0.509	6	121.0243	0.259	6	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	120.3635	0.810	2	120.3635	0.656	2	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	119.4410	0.000	1	119.4410	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	119.2088	0.426	5	119.2088	0.182	5	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	115.3510	0.000	1	115.3510	0.000	1	119.3663	2.916	63	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]Si)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]Si)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Si<4>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(SiC3){1|C<3>,1|C<4>,2|H<1>}	116.8680	0.000	1	116.8680	0.000	1	116.8680	0.000	1	120.5494	10.203	124	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	121.4920	0.000	1	122.2210	1.063	2	122.2210	1.063	2	122.2210	1.063	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	122.9500	0.000	1	122.2210	1.063	2	122.2210	1.063	2	122.2210	1.063	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C[6]-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H){1|C<4>,1|S<4>,2|H<1>}	124.1710	0.000	1	124.1710	0.000	1	124.1710	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]B[6,6]HH)(C[6]C[6]H)(H)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]B[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|B<4>,1|C<4>,3|H<1>}	124.2175	0.563	4	124.2175	0.317	4	124.2175	0.317	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.4235	0.305	2	124.4235	0.093	2	124.4235	0.093	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,2|N<3>}	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.6360	0.000	1	125.0105	0.281	2	125.0105	0.281	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	125.3850	0.000	1	125.0105	0.281	2	125.0105	0.281	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.6975	0.336	2	124.6975	0.113	2	124.6975	0.113	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	122.9190	1.236	2	122.9190	1.528	2	122.9190	1.528	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]H)(H){1|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	125.0380	0.000	1	125.0380	0.000	1	125.0380	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.7392	0.236	4	124.7392	0.056	4	124.6722	0.082	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.5895	0.487	2	124.5895	0.237	2	124.6722	0.082	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.9860	0.000	1	124.9860	0.000	1	124.6722	0.082	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	124.5950	0.000	1	124.5950	0.000	1	124.6722	0.082	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	124.3330	0.000	1	124.3330	0.000	1	124.6722	0.082	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	125.0450	0.000	1	125.0450	0.000	1	125.0975	0.006	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	125.1500	0.000	1	125.1500	0.000	1	125.0975	0.006	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:Br-1:	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br)	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|Br<1>,2|H<1>,4|C<4>}	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br){2|H<1>,4|C<4>}	121.7530	0.197	3	121.7530	0.039	3	121.7530	0.039	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	111.2840	0.000	1	111.2840	0.000	1	117.8050	85.047	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.3260	0.000	1	124.3260	0.000	1	117.8050	85.047	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	119.8270	0.000	1	119.8270	0.000	1	118.1242	0.489	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	117.9114	0.305	8	117.9114	0.093	8	118.1242	0.489	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.5715	0.168	2	120.5715	0.028	2	122.2278	3.674	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|F<1>,2|C<4>,2|H<1>}	123.9870	0.000	1	123.8840	0.021	2	122.2278	3.674	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.7810	0.000	1	123.8840	0.021	2	122.2278	3.674	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]H)(H){1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2{4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.8850	0.000	1	118.8850	0.000	1	121.0663	11.886	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.2730	0.000	1	119.2730	0.000	1	121.0663	11.886	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	125.0410	0.000	1	125.0410	0.000	1	121.0663	11.886	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	125.1090	0.000	1	125.1090	0.000	1	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.6070	0.000	1	123.6070	0.000	1	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.2130	0.000	1	123.2130	0.000	1	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	118.7300	0.845	4	118.7300	0.713	4	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	118.3035	0.384	2	118.3035	0.147	2	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	118.8995	0.025	2	118.8995	0.001	2	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.2670	0.308	3	124.2670	0.095	3	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	120.2940	0.009	4	120.2940	0.000	4	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7080	0.000	1	123.7080	0.000	1	120.9968	6.466	19	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|F<1>}	121.3630	0.000	1	121.3630	0.000	1	121.6270	0.139	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|F<1>}	121.8910	0.000	1	121.8910	0.000	1	121.6270	0.139	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	124.7460	0.000	1	124.7460	0.000	1	123.5100	1.095	10	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	124.7880	0.000	1	124.7880	0.000	1	123.5100	1.095	10	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	123.6140	0.000	1	123.6140	0.000	1	123.5100	1.095	10	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	123.3388	0.993	5	123.3388	0.987	5	123.5100	1.095	10	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	123.3480	0.000	1	123.3480	0.000	1	123.5100	1.095	10	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.9100	0.000	1	121.9100	0.000	1	123.5100	1.095	10	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9110	0.000	1	123.9110	0.000	1	124.8156	0.371	5	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	125.0845	0.658	2	125.0845	0.433	2	124.8156	0.371	5	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	125.0980	0.000	1	125.0980	0.000	1	124.8156	0.371	5	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(H){2|H<1>,6|C<4>}	124.9000	0.000	1	124.9000	0.000	1	124.8156	0.371	5	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	126.0210	0.000	2	126.0210	0.000	2	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	124.6870	0.000	1	124.6870	0.000	1	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	119.9805	0.170	4	119.9805	0.029	4	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	123.1317	1.013	3	123.1317	1.026	3	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|Fe<10>,2|C<4>,2|H<1>}	124.8521	0.480	7	124.8521	0.231	7	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.8950	0.115	2	123.8950	0.013	2	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|Fe<10>,2|C<4>,2|H<1>}	125.7254	0.758	8	125.7254	0.574	8	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	119.2060	0.195	2	119.3667	0.096	3	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	119.6880	0.000	1	119.3667	0.096	3	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	120.1088	1.010	8	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	119.2046	0.353	8	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.6650	0.000	1	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.1790	0.000	1	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.0760	0.000	1	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7340	0.000	2	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7890	0.025	2	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7100	0.000	1	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.8950	0.000	1	121.1631	4.683	25	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	122.0370	0.000	1	120.9397	2.078	3	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	120.3910	1.533	2	120.9397	2.078	3	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	119.6240	0.000	1	119.6240	0.000	1	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	125.2630	0.000	1	125.2630	0.000	1	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.7810	0.000	1	123.7698	0.559	6	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.2800	0.000	1	123.7698	0.559	6	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.3215	0.213	2	123.7698	0.559	6	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	122.9575	0.750	2	123.7698	0.559	6	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.7830	0.411	4	124.7830	0.169	4	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.2585	0.063	2	124.2585	0.004	2	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	123.4240	0.000	1	123.4240	0.000	1	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.2820	0.000	1	124.2820	0.000	1	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	123.9360	0.000	1	123.9360	0.000	1	122.8053	5.983	75	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	123.8140	0.000	1	123.8140	0.000	1	123.8140	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	124.0325	0.001	2	124.0325	0.000	2	123.5521	0.353	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,4|H<1>}	123.5680	0.000	1	123.9635	0.313	2	123.5521	0.353	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,3|C<4>,3|H<1>}	124.3590	0.000	1	123.9635	0.313	2	123.5521	0.353	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,4|C<4>}	122.7555	0.032	2	122.7555	0.001	2	123.5521	0.353	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	122.9560	0.000	1	122.9560	0.000	1	123.5521	0.353	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	123.7550	0.072	2	123.7550	0.005	2	123.5521	0.353	9	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	122.5130	0.000	1	122.5130	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	123.2370	0.000	1	123.2370	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.0270	0.000	1	124.0270	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2{3|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	124.1000	0.000	1	124.1000	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.5560	0.000	1	124.5560	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.8900	0.000	1	123.0750	1.136	3	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	122.6675	1.129	2	123.0750	1.136	3	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	122.7240	0.000	1	122.7240	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.3300	0.123	2	123.3670	0.012	3	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.4410	0.000	1	123.3670	0.012	3	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.4090	0.000	1	123.4090	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.0520	0.000	1	123.0520	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.2800	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.9845	0.228	2	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	123.5420	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.4810	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.4120	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.5140	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.6890	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7070	0.377	3	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.4620	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7750	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.1000	0.000	1	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	122.8670	0.440	3	123.5851	0.241	17	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	122.4080	0.000	1	122.4080	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>}	123.5885	0.054	2	123.3494	0.220	15	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.2294	0.412	12	123.3494	0.220	15	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.3110	0.000	1	123.3494	0.220	15	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	121.6580	0.000	1	121.6580	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	122.6687	0.345	3	122.6687	0.119	3	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.8970	0.141	2	123.8970	0.020	2	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	121.8430	0.000	1	121.8430	0.000	1	123.3304	0.421	54	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	123.3820	0.296	2	123.3820	0.087	2	123.1697	0.179	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.7450	0.000	1	122.7450	0.000	1	123.1697	0.179	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){2|Br<1>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-3:I-1:	C[6](C[6]C[6]ClH)(C[6]C[5,6]I)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[6](C[6]C[6]ClH)(C[6]C[5,6]I)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	122.6180	0.000	1	122.6180	0.000	1	123.1628	0.815	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	123.5570	0.000	1	123.5570	0.000	1	123.1628	0.815	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	123.2380	1.407	2	123.2380	1.980	2	123.1628	0.815	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	122.4540	0.000	1	122.4540	0.000	1	122.1977	0.482	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	122.7270	0.000	1	122.7270	0.000	1	122.1977	0.482	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|S<4>}	121.4120	0.000	1	121.4120	0.000	1	122.1977	0.482	3	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	122.5397	0.772	4	122.5397	0.596	4	122.6283	0.314	7	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	122.7660	0.140	2	122.7660	0.020	2	122.6283	0.314	7	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	122.7070	0.000	1	122.7070	0.000	1	122.6283	0.314	7	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,4|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	123.9310	0.000	1	123.9310	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	124.3265	0.641	2	124.3265	0.411	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	123.1420	0.000	1	123.1420	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.3500	0.000	1	124.3500	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.1740	0.000	1	123.1740	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	124.3490	0.000	1	124.3490	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	126.6560	0.000	1	126.6560	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	115.5780	0.000	1	115.5780	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	123.4640	0.000	1	123.4640	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.3000	0.000	1	123.3000	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	122.7260	0.000	1	122.7260	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]AuH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Au<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]AuH)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Au<3>,1|C<4>,3|H<1>}	123.2845	0.009	2	123.2845	0.000	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.6170	0.059	2	123.6170	0.004	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	123.7920	0.000	1	123.7920	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	124.5580	0.000	1	124.2265	0.220	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	123.8950	0.000	1	124.2265	0.220	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.3320	0.713	6	124.2880	0.330	13	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.3446	0.475	5	124.2880	0.330	13	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<4>,3|H<1>}	124.0145	0.579	2	124.2880	0.330	13	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.2000	0.000	1	123.2000	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HW)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	122.2610	0.000	1	122.2610	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.0830	0.000	1	123.7620	0.922	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	124.4410	0.000	1	123.7620	0.922	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	120.3420	0.000	1	122.7267	4.802	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.9190	1.037	2	122.7267	4.802	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	124.5820	0.000	1	124.0797	0.199	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.9290	0.000	1	124.0797	0.199	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	123.7280	0.000	1	124.0797	0.199	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	124.0900	0.000	1	124.0900	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	123.7600	0.000	1	123.7600	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	124.7720	0.000	1	123.6497	1.288	15	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.3160	0.000	1	123.6497	1.288	15	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|S<4>}	123.0630	0.000	1	123.6497	1.288	15	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	123.6944	1.205	11	123.6497	1.288	15	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.9570	0.000	1	123.6497	1.288	15	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	124.3265	0.342	2	125.9150	7.628	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	129.0920	0.000	1	125.9150	7.628	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	124.6120	0.000	1	124.6120	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]FeC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Fe<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FeC)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	122.2580	0.000	1	122.2580	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.6750	0.000	1	114.7530	29.212	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|P<4>,3|H<1>}	112.0780	0.000	1	114.7530	29.212	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	110.7230	0.000	1	114.7530	29.212	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	113.5360	0.000	1	114.7530	29.212	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	123.8030	0.685	3	124.2559	1.285	8	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	124.5276	1.329	5	124.2559	1.285	8	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	123.8665	0.643	2	123.7640	0.238	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.5590	0.000	1	123.7640	0.238	3	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	124.2650	0.000	1	123.6349	0.403	10	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	123.2525	0.499	2	123.6349	0.403	10	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	124.1570	0.000	1	123.6349	0.403	10	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.5703	0.691	6	123.6349	0.403	10	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	123.7330	0.000	1	123.7330	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	124.5620	0.000	1	124.5620	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	124.4330	0.000	1	124.4330	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.0170	0.000	1	124.0170	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	124.4960	0.000	1	124.4960	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.2958	0.499	5	123.3106	0.181	7	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.3475	0.286	2	123.3106	0.181	7	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	123.6520	0.000	1	123.6520	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	123.9200	0.000	1	123.9200	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	122.8120	0.000	1	122.8120	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.6160	0.000	1	123.6160	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	117.1240	0.000	1	114.9875	9.129	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	112.8510	0.000	1	114.9875	9.129	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	122.9775	1.073	2	122.9775	1.151	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	123.9600	0.000	1	123.9600	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	123.9530	0.000	1	123.9530	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	123.7070	0.000	1	123.9940	0.165	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	124.2810	0.000	1	123.9940	0.165	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7595	0.310	2	123.7595	0.096	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	123.7000	0.000	1	123.7000	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	121.7440	0.484	2	121.7440	0.234	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	124.2805	0.614	2	123.5115	0.932	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	122.9070	0.000	1	123.5115	0.932	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	122.5780	0.000	1	123.5115	0.932	4	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	121.0010	0.000	1	122.1895	2.825	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	123.3780	0.000	1	122.1895	2.825	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	120.4570	0.000	1	120.4570	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	121.7705	1.691	2	121.7705	2.858	2	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.1800	0.000	1	122.1800	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	122.3220	0.000	1	122.3220	0.000	1	123.2117	5.941	129	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(I){1|C<4>,1|O<2>,3|H<1>}	121.7080	0.000	1	121.7080	0.000	1	122.2965	0.693	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){2|C<4>,3|H<1>}	122.8850	0.000	1	122.8850	0.000	1	122.2965	0.693	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.6450	0.000	1	124.6450	0.000	1	124.6450	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|B<4>,1|C<4>,3|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]B[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	124.6262	1.211	4	124.6262	1.466	4	124.6262	1.466	4	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](N[6]O[6]PtH)(C[6]C[6]H)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Pt<4>,1|O<2>,3|H<1>}	C[6](N[6]O[6]PtH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|N<4>,2|H<1>}	120.8715	2.225	2	120.8715	4.952	2	120.8715	4.952	2	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:F-1:	C[6](C[6]S[6]HH)(C[6]C[6]F)(H)	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(F)	C[6](C[6]S[6]HH)(C[6]C[6]F)(H){1|H<1>,2|C<4>,2|O<1>}	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(F){1|S<4>,4|H<1>}	124.9680	0.000	1	124.9680	0.000	1	124.9680	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(I){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(H){1|Cl<1>,1|C<4>,3|H<1>}	124.4150	0.000	1	124.4150	0.000	1	124.4150	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(I)	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(I){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|C<4>,1|N<3>,3|H<1>}	122.2930	0.000	1	122.2930	0.000	1	122.2930	0.000	1	122.8825	5.975	389	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-2:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN){2|C<3>,2|C<4>,2|H<1>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	119.6987	28.620	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<2>,3|C<4>,4|H<1>}	121.7930	0.000	1	121.7930	0.000	1	122.0985	0.187	2	119.6987	28.620	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	122.4040	0.000	1	122.4040	0.000	1	122.0985	0.187	2	119.6987	28.620	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OSi)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OSi){1|C<3>,2|C<4>,2|H<1>}	123.8060	0.000	1	123.8060	0.000	1	123.8060	0.000	1	119.6987	28.620	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<4>,4|H<1>}	119.6940	0.000	1	119.6940	0.000	1	119.6940	0.000	1	119.6987	28.620	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|C<4>,4|H<1>}	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	119.6987	28.620	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO){2|H<1>,3|C<4>}	125.4795	0.095	2	125.4795	0.009	2	125.4795	0.009	2	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC){2|C<4>,3|H<1>}	125.9870	0.000	1	125.9870	0.000	1	125.9870	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,4|H<1>}	123.6695	0.025	2	123.6695	0.001	2	123.6695	0.001	2	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2{3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	123.7160	0.000	1	123.7160	0.000	1	122.4550	1.361	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	121.4140	0.000	1	121.4140	0.000	1	122.4550	1.361	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	122.2350	0.000	1	122.2350	0.000	1	122.4550	1.361	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,4|C<3>}	125.6620	0.000	1	125.6620	0.000	1	123.7223	9.046	4	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	119.2420	0.000	1	119.2420	0.000	1	123.7223	9.046	4	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.7980	0.000	1	124.7980	0.000	1	123.7223	9.046	4	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	125.1870	0.000	1	125.1870	0.000	1	123.7223	9.046	4	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	121.3050	0.000	1	121.3050	0.000	1	121.1775	0.033	2	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O){1|C<4>,4|H<1>}	121.0500	0.000	1	121.0500	0.000	1	121.1775	0.033	2	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO){1|O<2>,3|C<4>,4|H<1>}	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	125.6375	0.039	2	125.6375	0.002	2	125.6375	0.002	2	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	124.2553	0.211	4	124.2553	0.045	4	124.1400	0.279	8	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){2|H<1>,3|C<4>}	123.7030	0.000	1	123.7030	0.000	1	124.1400	0.279	8	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	124.9020	0.000	1	124.9020	0.000	1	124.1400	0.279	8	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){2|C<3>,2|C<4>,3|H<1>}	124.3320	0.000	1	124.3320	0.000	1	124.1400	0.279	8	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO){2|C<4>,3|H<1>}	123.1620	0.000	1	123.1620	0.000	1	124.1400	0.279	8	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	123.6280	0.695	5	123.6280	0.482	5	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,4|C<3>}	124.4745	0.776	4	124.4745	0.602	4	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,4|C<3>}	123.5860	0.399	2	123.5860	0.159	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.6705	0.576	2	123.6705	0.332	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	124.3820	0.000	1	124.3820	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	124.9040	0.000	1	124.9040	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN){1|C<4>,4|H<1>}	124.0830	0.115	2	124.0830	0.013	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,4|H<1>}	123.7130	0.000	1	123.7130	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	124.1370	0.547	2	124.1370	0.300	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	126.1800	0.000	2	126.1800	0.000	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	124.5440	0.000	1	124.5440	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	124.6787	0.424	3	124.6787	0.180	3	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP){1|C<4>,4|H<1>}	123.9143	0.825	3	123.9143	0.681	3	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O){1|C<4>,4|H<1>}	123.9190	0.000	1	123.9190	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,4|H<1>}	122.2245	0.383	2	122.2245	0.146	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS){1|C<4>,4|H<1>}	123.4050	0.000	2	123.4050	0.000	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C){1|C<4>,4|H<1>}	123.6370	0.000	1	123.6370	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC){1|C<4>,1|O<2>,3|H<1>}	124.5810	0.000	1	124.5810	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|H<1>}	124.1160	0.000	1	124.1160	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	125.2480	0.000	1	125.2480	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	123.8310	0.000	1	123.8310	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	124.1660	0.000	1	124.1660	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.3380	0.248	5	124.3473	0.050	6	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	124.3940	0.000	1	124.3473	0.050	6	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	123.8550	0.420	2	123.8550	0.176	2	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.8490	0.000	1	123.8490	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|S<4>,2|H<1>}	124.7250	0.000	1	124.7250	0.000	1	124.1160	0.634	50	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	125.4310	0.000	1	125.4310	0.000	1	125.4310	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	122.5410	0.000	1	122.5410	0.000	1	122.7450	0.244	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	123.3080	0.000	1	123.3080	0.000	1	122.7450	0.244	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO){1|C<4>,2|C<3>,4|H<1>}	122.3860	0.000	1	122.3860	0.000	1	122.7450	0.244	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:O-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6]Li2)(C[6]C[6]H)(OLiC)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Li<3>,1|Li<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	C[6](N[6]C[6]Li2)(C[6]C[6]H)(OLiC){1|C<4>,4|H<1>}	120.1170	0.041	2	120.1537	0.005	3	120.1537	0.005	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:O-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6]Li2)(C[6]C[6]H)(OLiC)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Li<3>,1|Li<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	C[6](N[6]C[6]Li2)(C[6]C[6]H)(OLiC){1|C<4>,4|H<1>}	120.2270	0.000	1	120.1537	0.005	3	120.1537	0.005	3	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC){3|H<1>,4|C<4>}	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC){1|C<4>,1|N<3>,6|H<1>}	118.1180	0.000	1	118.1180	0.000	1	118.1180	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	120.7340	0.000	1	120.7340	0.000	1	120.0281	1.538	36	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	118.7200	0.000	1	118.7200	0.000	1	120.0281	1.538	36	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	120.1533	1.099	33	120.1533	1.207	33	120.0281	1.538	36	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	116.4980	0.000	1	116.4980	0.000	1	120.0281	1.538	36	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	119.6510	0.000	1	119.6510	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|Si<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH){1|C<4>,4|H<1>}	118.3440	0.000	1	118.3440	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	114.8650	0.427	2	114.8650	0.182	2	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<4>,5|H<1>}	124.3525	0.084	2	124.3525	0.007	2	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	119.7770	0.000	1	119.7770	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH){1|C<4>,1|O<2>,3|H<1>}	116.7800	0.000	1	116.7800	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<4>,4|H<1>}	118.4480	0.000	1	118.4480	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	119.8250	0.000	1	119.8250	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC){2|C<4>,3|H<1>}	110.7610	0.000	1	110.7610	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	118.1100	0.000	1	118.1100	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	120.1480	0.000	1	120.1480	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	117.8575	0.244	2	117.8575	0.060	2	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,4|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	116.5250	0.000	1	116.5250	0.000	1	118.2824	11.307	16	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	117.9705	0.064	2	117.9705	0.004	2	118.8200	1.112	5	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	119.1550	1.311	2	119.1550	1.719	2	118.8200	1.112	5	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	119.8490	0.000	1	119.8490	0.000	1	118.8200	1.112	5	121.9065	8.417	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<3>,2|H<1>}	123.8630	2.039	2	125.3923	9.096	3	125.3923	9.096	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{4|C<3>,4|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	128.4510	0.000	1	125.3923	9.096	3	125.3923	9.096	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	126.7060	0.000	1	126.7060	0.000	1	125.9697	0.429	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	125.6015	0.211	2	125.6015	0.045	2	125.9697	0.429	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2{1|O<1>,5|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,4|C<4>}	124.1240	0.000	1	124.1240	0.000	1	124.1240	0.000	1	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	125.8255	0.091	2	125.8255	0.008	2	125.8255	0.008	2	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	122.7140	1.723	2	122.7140	2.967	2	122.7140	2.967	2	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H){1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,6|H<1>}	124.8000	0.458	2	124.8000	0.210	2	124.8000	0.210	2	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	124.1350	0.000	1	124.1350	0.000	1	124.1350	0.000	1	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH){2|C<4>,3|H<1>}	125.6650	0.000	1	125.6650	0.000	1	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2{5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	125.2710	0.000	1	125.2710	0.000	1	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	120.9600	0.000	1	120.9600	0.000	1	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,3|H<1>}	123.3820	0.000	1	123.3820	0.000	1	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	119.7070	0.000	1	119.7070	0.000	1	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.2810	0.000	2	124.3805	0.013	4	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.4800	0.000	2	124.3805	0.013	4	123.6119	3.963	9	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	126.1290	0.000	1	126.1290	0.000	1	125.1627	0.737	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO){1|O<2>,3|C<4>,4|H<1>}	124.4890	0.000	1	124.4890	0.000	1	125.1627	0.737	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,4|H<1>}	124.8700	0.000	1	124.8700	0.000	1	125.1627	0.737	3	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,5|H<1>}	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	125.3200	0.000	1	125.3200	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	125.6340	0.000	1	125.6340	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	124.2030	0.000	1	124.2030	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.8170	0.000	1	124.8170	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.6250	0.000	1	124.6250	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	124.4880	0.000	1	124.4880	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.3890	0.000	1	125.0035	0.409	4	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	125.2083	0.602	3	125.0035	0.409	4	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.8255	0.611	6	124.7019	0.418	7	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	123.9600	0.000	1	124.7019	0.418	7	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	125.4000	0.000	1	125.4000	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2{2|C<4>,2|O<1>,2|O<2>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>}	128.2060	0.000	1	128.2060	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	124.7695	0.644	2	124.7695	0.415	2	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	122.9150	0.000	1	122.9150	0.000	1	124.9125	1.003	22	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH){1|N<3>,2|C<4>,2|H<1>}	123.8445	0.064	2	123.8445	0.004	2	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	121.4320	0.000	1	121.4320	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.5790	0.000	1	124.5790	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<2>,2|H<1>}	125.2840	0.000	1	125.2840	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	124.9600	0.000	1	124.9600	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	126.9310	0.000	1	126.9310	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.9340	0.000	1	124.9340	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	125.5670	0.000	1	125.5670	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	124.5695	0.158	2	124.6017	0.016	3	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	124.6660	0.000	1	124.6017	0.016	3	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	123.7870	0.000	1	123.7870	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.4520	0.000	1	123.6740	4.805	6	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	124.3370	0.000	1	123.6740	4.805	6	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	119.2350	0.000	1	123.6740	4.805	6	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	124.6733	0.373	3	123.6740	4.805	6	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	125.0200	0.000	1	125.0200	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP){1|C<4>,4|H<1>}	124.5040	0.000	1	124.5040	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	125.1900	0.000	1	125.1900	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	124.9540	0.000	1	125.2660	0.320	3	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	125.4220	0.703	2	125.2660	0.320	3	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	124.0770	0.000	1	124.0770	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	123.4080	0.000	1	123.4080	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	125.3900	0.000	1	125.3900	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	125.7310	0.000	1	125.4840	0.122	2	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	125.2370	0.000	1	125.4840	0.122	2	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	125.8220	0.000	1	125.8220	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	124.7990	0.000	1	125.2430	1.430	4	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	124.6385	0.794	2	125.2430	1.430	4	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	126.8960	0.000	1	125.2430	1.430	4	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	124.3580	0.335	3	124.3580	0.112	3	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	124.5733	0.763	6	124.5733	0.583	6	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	123.9770	0.000	1	123.9770	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	123.7560	0.000	1	123.7560	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO){1|C<4>,4|H<1>}	124.6125	0.211	2	124.6125	0.045	2	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH){1|C<4>,4|H<1>}	124.4660	0.000	1	124.4660	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCC){1|C<4>,4|H<1>}	125.1680	0.000	1	125.1680	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCH){1|C<4>,4|H<1>}	124.9530	0.000	1	124.9530	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	125.8370	0.000	1	125.8370	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	124.7740	0.253	3	124.7740	0.064	3	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	124.7360	0.000	1	124.7360	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	124.3810	0.000	1	124.3810	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|H<1>}	124.2040	0.000	1	124.2040	0.000	1	124.6155	1.210	58	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,3|H<1>}	122.6460	0.000	1	122.6460	0.000	1	122.6460	0.000	1	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]H)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]H)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	133.1540	0.000	1	133.1540	0.000	1	133.1540	0.000	1	124.7208	2.341	109	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	125.3510	0.000	1	125.3510	0.000	1	125.3510	0.000	1	125.1784	0.962	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>}	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	125.1784	0.962	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	124.1210	0.000	1	124.1210	0.000	1	125.3540	1.121	5	125.1784	0.962	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	125.6623	0.928	4	125.6623	0.862	4	125.3540	1.121	5	125.1784	0.962	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,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>}	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,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>}	121.3760	0.000	1	121.3760	0.000	1	122.1530	1.207	2	122.1252	0.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,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>}	122.9300	0.000	1	122.9300	0.000	1	122.1530	1.207	2	122.1252	0.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HS)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H){1|C<4>,1|O<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>}	121.8230	0.341	2	121.8230	0.116	2	121.8230	0.116	2	122.1252	0.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]I)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(I){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,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>}	122.6740	0.000	1	122.6740	0.000	1	122.6740	0.000	1	122.1252	0.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.0655	0.416	2	124.0655	0.173	2	124.0655	0.173	2	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6,6]HO)(C[6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<4>}	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	121.9660	0.691	6	121.9660	0.478	6	122.4148	3.053	9	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.4080	0.000	1	124.4080	0.000	1	122.4148	3.053	9	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|O<2>,2|H<1>}	119.8830	0.000	1	119.8830	0.000	1	122.4148	3.053	9	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	125.6460	0.000	1	125.6460	0.000	1	122.4148	3.053	9	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	122.0290	0.000	1	122.0290	0.000	1	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	123.7400	0.000	1	123.3605	0.288	2	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	122.9810	0.000	1	123.3605	0.288	2	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	122.9280	0.000	1	122.9280	0.000	1	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,2|C<4>}	119.6345	0.108	2	120.3450	0.679	4	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|S<3>}	121.0555	0.073	2	120.3450	0.679	4	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	121.0995	0.390	2	121.0995	0.152	2	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	121.2060	0.000	1	120.9455	0.136	2	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	120.6850	0.000	1	120.9455	0.136	2	121.4290	1.642	12	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|O<2>,2|C<4>,2|H<1>}	121.9240	0.910	4	121.9240	0.829	4	121.9240	0.829	4	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](PC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>,2|H<1>}	119.6750	0.000	1	119.6750	0.000	1	119.6750	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.5900	0.000	1	116.5900	0.000	1	116.0210	0.206	4	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.1080	0.000	1	116.1080	0.000	1	116.0210	0.206	4	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	115.6930	0.267	2	115.6930	0.071	2	116.0210	0.206	4	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:Se-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<4>}	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	120.9002	6.546	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	C[6](C[6]C[6]Br)2(OC)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]Br)2(OC){1|C<4>,1|O<2>,2|H<1>}	121.2393	0.573	3	121.2393	0.328	3	121.2393	0.328	3	120.4887	3.144	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	120.4887	3.144	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HO)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	118.4310	1.198	2	118.4310	1.435	2	118.4310	1.435	2	120.4887	3.144	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.9620	0.000	1	122.9620	0.000	1	122.9620	0.000	1	119.3203	9.972	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	117.3400	0.000	1	117.4995	0.051	2	117.4995	0.051	2	119.3203	9.972	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	117.6590	0.000	1	117.4995	0.051	2	117.4995	0.051	2	119.3203	9.972	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	124.8510	0.000	1	124.8510	0.000	1	124.8510	0.000	1	123.1131	17.665	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	125.9867	0.469	3	125.9867	0.220	3	126.0956	0.138	5	123.1131	17.665	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	126.2590	0.151	2	126.2590	0.023	2	126.0956	0.138	5	123.1131	17.665	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	116.8970	0.000	1	116.8970	0.000	1	117.5630	0.430	3	123.1131	17.665	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	117.8960	0.441	2	117.8960	0.195	2	117.5630	0.430	3	123.1131	17.665	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	125.7600	0.000	1	125.7600	0.000	1	125.7600	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	125.2040	0.000	1	125.2040	0.000	1	125.5426	0.818	5	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	125.6273	1.021	4	125.6273	1.043	4	125.5426	0.818	5	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:Cl-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H){1|C<4>,2|H<1>,2|O<2>}	126.2200	0.000	1	126.2200	0.000	1	126.2200	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<4>}	124.1255	0.593	2	124.1255	0.352	2	124.1255	0.352	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br){1|C<4>,2|H<1>,2|O<2>}	123.4760	0.000	1	123.4760	0.000	1	123.4760	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl)	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl){1|C<4>,2|H<1>,2|O<2>}	123.3930	0.000	1	123.3930	0.000	1	123.3930	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	124.0260	0.000	1	124.0260	0.000	1	124.0260	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,3|O<2>}	123.7440	0.000	1	123.7440	0.000	1	123.7440	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.9401	0.587	8	124.9401	0.345	8	124.9401	0.345	8	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	123.2140	0.000	1	123.2140	0.000	1	121.5965	5.233	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	119.9790	0.000	1	119.9790	0.000	1	121.5965	5.233	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6,6]H)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<4>}	124.4370	0.141	2	124.4370	0.020	2	124.4370	0.020	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	125.8920	0.000	1	125.8920	0.000	1	125.8920	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.4295	0.291	2	124.4295	0.084	2	121.6750	2.641	10	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	121.4150	0.247	2	120.9864	0.674	8	121.6750	2.641	10	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	120.3915	0.306	2	120.9864	0.674	8	121.6750	2.641	10	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	121.0695	1.074	4	120.9864	0.674	8	121.6750	2.641	10	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	124.5257	0.892	3	124.5257	0.796	3	121.7945	2.758	17	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	120.8997	0.923	6	121.2092	1.182	14	121.7945	2.758	17	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	121.4414	1.201	8	121.2092	1.182	14	121.7945	2.758	17	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.7590	0.000	1	123.7590	0.000	1	121.8490	0.797	7	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.4570	0.000	1	121.4570	0.000	1	121.8490	0.797	7	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.7560	0.000	1	121.7560	0.000	1	121.8490	0.797	7	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5550	0.092	2	121.5550	0.008	2	121.8490	0.797	7	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.9610	0.000	1	120.9610	0.000	1	121.8490	0.797	7	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9000	0.000	1	121.9000	0.000	1	121.8490	0.797	7	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.9720	0.000	1	122.9720	0.000	1	122.0027	1.830	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){2|C<4>,3|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<4>}	120.4570	0.000	1	120.4570	0.000	1	122.0027	1.830	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){2|C<4>,3|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<4>}	122.5790	0.000	1	122.5790	0.000	1	122.0027	1.830	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	120.3450	0.231	2	121.2100	1.030	4	121.7050	4.146	9	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	122.0750	0.206	2	121.2100	1.030	4	121.7050	4.146	9	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5920	0.779	2	120.5920	0.607	2	121.7050	4.146	9	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.1920	0.000	1	124.1920	0.000	1	121.7050	4.146	9	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.5350	0.000	1	119.5350	0.000	1	121.7050	4.146	9	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	125.5940	0.000	1	125.5940	0.000	1	121.7050	4.146	9	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	124.5870	0.000	1	124.5870	0.000	1	124.2930	0.173	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	123.9990	0.000	1	123.9990	0.000	1	124.2930	0.173	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	123.6115	0.606	2	123.6115	0.367	2	122.9243	1.600	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	121.5500	0.000	1	121.5500	0.000	1	122.9243	1.600	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	123.6250	0.000	1	123.6250	0.000	1	123.7103	0.183	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	123.3320	0.000	1	123.3320	0.000	1	123.7103	0.183	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	124.1740	0.000	1	124.1740	0.000	1	123.7103	0.183	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Ge-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]GeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H)	C[6](C[6]C[6]GeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]GeH)(C[6]C[6]H)(H){1|Ge<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]GeH)(C[6]C[6]H)(H){1|Ge<2>,1|C<4>,3|H<1>}	124.2445	0.869	2	124.2445	0.755	2	124.2445	0.755	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	122.6800	0.000	1	123.0235	0.236	2	123.0235	0.236	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	123.3670	0.000	1	123.0235	0.236	2	123.0235	0.236	2	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	122.1238	1.168	4	122.1238	1.365	4	122.1238	1.365	4	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	123.8140	0.000	1	123.8140	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.7380	0.000	1	122.7380	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	123.8770	0.000	1	123.8770	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	123.3290	0.000	1	123.3290	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	124.4050	0.000	1	124.4050	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	123.5785	0.851	2	123.5785	0.724	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	123.0585	0.035	2	123.0585	0.001	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	124.6230	0.000	1	124.6230	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	122.7955	0.159	2	122.7955	0.025	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	124.2350	0.000	1	124.2350	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.0290	0.829	2	123.0290	0.687	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.7500	0.000	1	122.7500	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	123.6130	0.000	1	123.6130	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	123.4000	0.000	1	123.2145	0.069	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	123.0290	0.000	1	123.2145	0.069	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.4460	0.000	1	122.4460	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	123.4695	0.367	4	123.0603	0.502	6	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	122.2420	0.308	2	123.0603	0.502	6	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.3970	0.000	1	123.3970	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	123.4480	0.000	1	123.4480	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	124.0300	0.000	1	124.0300	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.6110	0.000	1	123.6110	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|O<2>}	122.1120	0.161	2	122.1120	0.026	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.9670	0.000	1	121.9670	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4270	0.000	1	121.4270	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.3770	0.000	1	121.3770	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	121.6630	0.000	1	121.6630	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]O[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HS)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	121.9560	0.000	1	121.9560	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	122.8560	0.000	2	122.8560	0.000	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	122.7050	0.000	1	122.7050	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]O[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HS)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	122.6240	0.000	1	122.6240	0.000	1	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	121.7605	0.138	2	121.7605	0.019	2	122.9473	0.682	44	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(I){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.7560	0.000	1	124.7560	0.000	1	123.0827	2.128	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){1|C<4>,2|H<1>,2|O<2>}	122.2460	0.236	2	122.2460	0.056	2	123.0827	2.128	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<2>,3|H<1>}	123.2530	0.000	1	123.2530	0.000	1	123.2530	0.000	1	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(H){1|C<4>,2|H<1>,2|O<2>}	124.7180	0.000	1	124.7180	0.000	1	124.3823	0.290	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|C<4>,2|H<1>,2|O<2>}	124.2145	0.641	2	124.2145	0.411	2	124.3823	0.290	3	122.9190	2.581	140	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OSi)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OSi){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.1770	0.000	1	119.1770	0.000	1	119.2760	0.020	2	121.9848	6.372	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.3750	0.000	1	119.3750	0.000	1	119.2760	0.020	2	121.9848	6.372	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC){1|C<4>,2|H<1>,2|O<2>}	124.1975	0.135	2	124.1975	0.018	2	124.1975	0.018	2	121.9848	6.372	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi){1|C<4>,1|O<2>,3|H<1>}	122.9770	0.000	1	122.9770	0.000	1	122.9770	0.000	1	121.9848	6.372	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO){1|O<2>,3|H<1>,4|C<4>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,3|H<1>}	126.6020	0.000	1	126.6020	0.000	1	124.7334	1.431	10	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	124.6655	1.395	4	124.6655	1.947	4	124.7334	1.431	10	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,2|O<2>}	123.1190	0.000	1	123.1190	0.000	1	124.7334	1.431	10	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,2|O<2>}	124.7210	0.000	1	124.7210	0.000	1	124.7334	1.431	10	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,2|O<2>}	125.0955	0.415	2	125.0955	0.172	2	124.7334	1.431	10	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,2|O<2>}	124.0390	0.000	1	124.0390	0.000	1	124.7334	1.431	10	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HO)(C[6]C[6]N)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]HO)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO){1|C<4>,1|H<1>,1|O<2>}	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(I){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO){1|C<4>,2|H<1>,2|O<2>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,1|O<2>,3|H<1>}	117.8290	0.000	1	117.8290	0.000	1	117.8290	0.000	1	123.6204	5.563	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	124.6630	0.000	1	124.6630	0.000	1	121.7940	16.462	2	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,2|O<2>}	118.9250	0.000	1	118.9250	0.000	1	121.7940	16.462	2	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,2|O<2>}	125.7430	0.000	1	125.7430	0.000	1	125.7430	0.000	1	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,3|H<1>}	125.8510	0.115	4	125.8510	0.013	4	124.3846	4.163	8	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.9580	0.000	1	123.9580	0.000	1	124.3846	4.163	8	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,3|H<1>}	124.7160	0.000	1	124.7160	0.000	1	124.3846	4.163	8	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO){1|C<4>,2|H<1>,2|O<2>}	122.8340	0.000	1	122.8340	0.000	1	124.3846	4.163	8	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	120.1650	0.000	1	120.1650	0.000	1	124.3846	4.163	8	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H){1|H<1>,7|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	117.0547	0.153	3	117.0547	0.023	3	117.0547	0.023	3	122.4345	11.378	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	4:4:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]2)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	124.3780	0.000	1	124.3780	0.000	1	124.3780	0.000	1	124.3780	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:2:	2:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:O-2:O-2:	N[6]-2:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6,6]OO)(C[6]C[6a]N[6])(O)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	C[6](N[6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6,6]OO)(C[6]C[6a]N[6])(O){1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|O<2>}	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	118.1880	4.038	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|O<2>,3|C<4>}	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	118.1880	4.038	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]OO)(C[6]C[6]O)(O)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]OO)(C[6]C[6]O)(O){1|C<3>,3|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OH){1|C<4>,1|O<1>,2|O<2>}	118.3040	0.041	2	118.3040	0.002	2	118.3040	0.002	2	118.3040	0.002	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:2:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6,6]OO)(C[6]C[6]S)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6]OO)(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2{1|S<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|O<2>}	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]OO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]OO)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	123.1090	0.000	1	123.1090	0.000	1	123.1090	0.000	1	123.1090	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:2:4:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H)	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])(C[6]C[6]H)(OC)	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	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])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	115.2880	0.027	2	115.2880	0.001	2	115.2880	0.001	2	115.2880	0.001	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.7130	0.000	1	123.7130	0.000	1	123.3255	0.300	2	123.1625	0.136	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(COS)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(COS){1|C<4>,2|C<3>,2|H<1>}	122.9380	0.000	1	122.9380	0.000	1	123.3255	0.300	2	123.1625	0.136	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	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>}	122.9995	0.023	2	122.9995	0.001	2	122.9995	0.001	2	123.1625	0.136	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:2:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6]H)(O[6]Ge[6])(OC)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H){1|Ge<4>,2|C<3>}	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H){2|O<2>,6|C<3>}	C[6](C[6]C[6]H)(O[6]Ge[6])(OC){1|C<4>,1|H<1>,3|C<3>}	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]N[6])(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]N[6])(H){1|N<2>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.0530	0.000	1	123.0530	0.000	1	123.0530	0.000	1	121.6456	1.694	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	121.6456	1.694	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.7820	1.007	2	120.7820	1.014	2	121.4695	1.914	6	121.6456	1.694	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	123.9470	0.000	1	121.8132	2.379	4	121.4695	1.914	6	121.6456	1.694	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.1020	0.730	3	121.8132	2.379	4	121.4695	1.914	6	121.6456	1.694	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.6033	1.753	6	119.6033	3.074	6	119.6033	3.074	6	120.0153	3.750	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:P-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(PO3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(PO3){1|C<3>,2|C<4>,2|H<1>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	120.0153	3.750	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){6|C<3>}	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.4340	0.059	3	121.4340	0.003	3	121.4340	0.003	3	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H){1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.8020	0.286	2	121.8020	0.082	2	121.8020	0.082	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	123.0695	2.529	13	123.0695	6.394	13	122.8837	5.726	15	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.6760	0.257	2	121.6760	0.066	2	122.8837	5.726	15	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H){2|H<1>,3|C<3>,5|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.2780	0.140	2	124.2780	0.020	2	124.2780	0.020	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	124.7110	0.000	1	124.7110	0.000	1	124.7110	0.000	1	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.4005	0.037	2	123.4005	0.001	2	123.4005	0.001	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	123.8760	0.000	1	123.8760	0.000	1	123.3600	0.533	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	122.8440	0.000	1	122.8440	0.000	1	123.3600	0.533	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0860	0.000	1	121.0860	0.000	1	121.8835	1.272	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6810	0.000	1	122.6810	0.000	1	121.8835	1.272	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.1500	0.000	1	124.1500	0.000	1	124.1500	0.000	1	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){6|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2560	0.000	1	122.2560	0.000	1	122.1013	0.732	7	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.6580	0.518	2	122.6580	0.268	2	122.1013	0.732	7	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.5260	0.000	1	122.5260	0.000	1	122.1013	0.732	7	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.1405	0.402	2	122.1405	0.162	2	122.1013	0.732	7	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3300	0.000	1	120.3300	0.000	1	122.1013	0.732	7	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Rh)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	118.7115	0.862	2	118.7115	0.743	2	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[5]Cu)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]C[5]Cu)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.4950	0.636	2	119.4950	0.405	2	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[5]Pt)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]C[5]Pt)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.4750	0.214	2	119.4750	0.046	2	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[6]Au)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]Au)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.9123	0.754	4	119.9123	0.568	4	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[6]C)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]C)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.0995	0.131	2	119.0995	0.017	2	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.3550	0.332	2	119.3550	0.110	2	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]PdN)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](PC[6a]PdN)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.6095	0.260	2	119.6095	0.067	2	119.4463	0.357	16	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](SiC[6a]2Pd)(C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](SiC[6a]2Pd)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,2|H<1>}	122.9540	0.553	2	122.9540	0.306	2	122.9540	0.306	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	117.6280	0.000	1	117.6280	0.000	1	118.2455	0.763	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.8630	0.000	1	118.8630	0.000	1	118.2455	0.763	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]O)2(H){1|C<4>,2|C<3>,2|F<1>}	119.1750	0.000	1	119.1750	0.000	1	118.9935	0.066	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]O)2(H){1|C<4>,2|C<3>,2|F<1>}	118.8120	0.000	1	118.8120	0.000	1	118.9935	0.066	2	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	115.6770	0.000	1	115.6770	0.000	1	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	118.0580	1.150	2	118.0580	1.322	2	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	117.7670	0.000	1	117.7670	0.000	1	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	117.4330	0.000	1	117.0240	0.875	3	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.6850	0.000	1	117.0240	0.875	3	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.9540	0.000	1	117.0240	0.875	3	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	117.0369	0.395	11	117.0369	0.156	11	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	115.6220	0.000	1	115.6220	0.000	1	117.0347	0.617	19	120.3978	7.648	81	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H){1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	125.7150	0.000	1	125.7150	0.000	1	125.7150	0.000	1	120.3964	28.259	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]P[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|H<1>,1|P<4>,5|C<3>}	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]P[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	126.6270	0.000	1	126.6270	0.000	1	126.6270	0.000	1	120.3964	28.259	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	115.8880	0.000	1	115.8880	0.000	1	116.5467	0.732	3	120.3964	28.259	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,2|C<3>,2|C<4>}	117.5140	0.000	1	116.8760	0.814	2	116.5467	0.732	3	120.3964	28.259	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	116.2380	0.000	1	116.8760	0.814	2	116.5467	0.732	3	120.3964	28.259	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.7730	0.000	1	123.7730	0.000	1	123.7730	0.000	1	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:O[6]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]B[6]Li)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]O[6])(H){1|Li<3>,1|B<4>,6|C<3>}	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[6](C[6a]C[6a]2)(O[6]B[6]Li)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	125.8215	0.037	2	125.8215	0.001	2	125.8215	0.001	2	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	124.5860	0.000	1	124.5860	0.000	1	124.5860	0.000	1	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]O[6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	123.2820	0.000	1	123.2820	0.000	1	122.9180	0.265	2	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6]H)(C[6]O[6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	122.5540	0.000	1	122.5540	0.000	1	122.9180	0.265	2	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.2430	0.000	1	121.2430	0.000	1	121.6177	4.412	6	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.8403	3.288	3	121.8403	10.810	3	121.6177	4.412	6	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,6|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.2410	0.000	1	121.2410	0.000	1	121.6177	4.412	6	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.7010	0.000	1	121.7010	0.000	1	121.6177	4.412	6	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	123.1950	0.000	1	123.1950	0.000	1	123.1950	0.000	1	123.0912	3.945	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	123.2870	0.000	1	123.2870	0.000	1	125.9615	14.306	2	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	128.6360	0.000	1	128.6360	0.000	1	125.9615	14.306	2	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.5265	0.179	2	125.5265	0.032	2	125.5265	0.032	2	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){6|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	123.2890	0.624	2	123.2890	0.389	2	123.6270	0.312	4	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	123.9650	0.298	2	123.9650	0.089	2	123.6270	0.312	4	124.2059	3.765	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,3|H<1>}	125.5060	0.000	1	125.5060	0.000	1	125.5918	0.139	6	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,3|H<1>}	125.8650	0.668	2	125.8650	0.446	2	125.5918	0.139	6	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	125.5010	0.021	2	125.4383	0.012	3	125.5918	0.139	6	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,3|H<1>}	125.3130	0.000	1	125.4383	0.012	3	125.5918	0.139	6	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.9320	0.000	1	120.9320	0.000	1	120.9320	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[4x6]-4:N[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[4x6]N[5a]H)(C[6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[4x6]N[5a]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,5|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	125.4730	0.000	1	125.4730	0.000	1	125.4730	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	123.3560	0.000	1	123.3560	0.000	1	122.9557	9.116	4	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.9355	0.585	2	124.9355	0.342	2	122.9557	9.116	4	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.5960	0.000	1	118.5960	0.000	1	122.9557	9.116	4	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.1370	0.000	1	125.1370	0.000	1	125.1370	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.2975	0.515	2	123.2975	0.266	2	123.2975	0.266	2	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]B[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]B[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	117.4025	0.127	2	117.4025	0.016	2	117.8310	0.559	3	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.6880	0.000	1	118.6880	0.000	1	117.8310	0.559	3	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	126.0600	0.000	1	126.0600	0.000	1	126.0600	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	124.6270	0.000	1	124.6270	0.000	1	124.6270	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	124.7770	0.671	6	124.7770	0.450	6	124.6808	0.689	12	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	124.8025	2.022	2	124.8025	4.087	2	124.6808	0.689	12	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.8970	0.311	2	124.8970	0.097	2	124.6808	0.689	12	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.7570	0.000	1	123.7570	0.000	1	124.6808	0.689	12	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	124.3520	0.000	1	124.3520	0.000	1	124.6808	0.689	12	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	118.5160	0.000	1	118.3973	1.932	3	118.1310	1.571	4	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.3380	1.960	2	118.3973	1.932	3	118.1310	1.571	4	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	117.3320	0.000	1	117.3320	0.000	1	118.1310	1.571	4	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	117.5580	0.000	1	117.5580	0.000	1	118.2955	1.088	2	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.0330	0.000	1	119.0330	0.000	1	118.2955	1.088	2	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.0270	0.000	1	124.0270	0.000	1	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	122.9860	0.744	4	122.9860	0.553	4	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	123.8630	0.000	1	123.8630	0.000	1	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.1240	0.000	1	124.1240	0.000	1	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	122.1640	0.000	1	122.1640	0.000	1	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	124.2770	0.000	1	124.2770	0.000	1	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	123.7155	0.559	2	123.7155	0.313	2	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	123.3180	0.023	2	123.3180	0.001	2	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.6440	0.000	1	122.6440	0.000	1	123.3650	0.527	14	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9760	0.000	1	122.9760	0.000	1	122.1180	1.072	3	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.6890	1.020	2	121.6890	1.040	2	122.1180	1.072	3	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	121.3060	0.614	2	121.3060	0.377	2	121.3060	0.377	2	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	124.1600	0.000	1	124.3640	0.083	2	124.5262	0.188	5	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	124.5680	0.000	1	124.3640	0.083	2	124.5262	0.188	5	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.1590	0.000	1	124.1590	0.000	1	124.5262	0.188	5	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	124.8720	0.491	2	124.8720	0.241	2	124.5262	0.188	5	122.9308	6.833	67	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	124.1990	1.658	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.6570	0.000	1	125.6570	0.000	1	125.6570	0.000	1	124.1990	1.658	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	124.1990	1.658	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,4|H<1>}	125.8800	0.000	1	125.8800	0.000	1	125.8800	0.000	1	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	119.6588	0.409	5	119.6588	0.167	5	118.6936	1.014	11	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	118.1260	0.583	2	118.1260	0.339	2	118.6936	1.014	11	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	117.7710	0.376	4	117.7710	0.142	4	118.6936	1.014	11	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	125.1380	0.505	2	125.1380	0.255	2	125.1380	0.255	2	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(SiC3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(SiC3){1|C<4>,2|C<3>,2|H<1>}	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	124.5010	0.000	1	124.5010	0.000	1	124.8083	0.074	4	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.9107	0.220	3	124.9107	0.048	3	124.8083	0.074	4	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.3830	0.000	1	126.3830	0.000	1	126.3830	0.000	1	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	117.5625	0.012	2	117.5625	0.000	2	117.5625	0.000	2	121.0060	10.928	24	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]Cl)(O)	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[5]C[6]C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|N<2>,3|C<3>}	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	115.0725	0.262	2	115.0725	0.069	2	115.0725	0.069	2	116.0007	2.619	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	116.0007	2.619	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:2:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2O)(C[6]C[6]C)(H)	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	124.2440	0.078	2	124.2440	0.006	2	124.2440	0.006	2	124.2440	0.006	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:2:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	124.7470	0.000	1	124.7470	0.000	1	124.7470	0.000	1	124.7470	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)2{1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	124.4810	0.000	1	124.4810	0.000	1	124.4810	0.000	1	124.6666	0.250	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2N)(C[6]N[6]H)(H)	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2N)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	124.7130	0.565	4	124.7130	0.319	4	124.7130	0.319	4	124.6666	0.250	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	124.6980	0.000	1	124.6980	0.000	1	124.6980	0.000	1	121.3585	22.305	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	118.0190	0.000	1	118.0190	0.000	1	118.0190	0.000	1	121.3585	22.305	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	125.9550	0.000	1	125.9550	0.000	1	125.9550	0.000	1	125.9550	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:Si-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]Si)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SiC3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]Si)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SiC3){1|H<1>,2|C<4>,3|C<3>}	123.9820	0.684	2	123.9820	0.469	2	123.9820	0.469	2	123.9820	0.469	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>}	124.9565	0.187	2	124.9565	0.035	2	124.9565	0.035	2	122.3150	8.750	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:B[5]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]B[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]B[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	119.5755	0.117	2	119.5755	0.014	2	119.5755	0.014	2	122.3150	8.750	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3){1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	124.3570	0.181	2	124.3570	0.033	2	124.3570	0.033	2	122.3150	8.750	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|N<3>,3|C<4>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	122.3150	8.750	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,2|C<4>}	120.4440	0.000	1	120.4440	0.000	1	120.4440	0.000	1	120.4440	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	124.2030	0.000	2	124.2030	0.000	2	124.2030	0.000	2	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	124.4250	0.096	2	124.4250	0.009	2	124.4250	0.009	2	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]SiH)(C[6]C[5a,6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]SiH)(C[6]C[5a,6]H)(H){1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.2170	0.000	1	125.2170	0.000	1	125.2170	0.000	1	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){2|C<4>,2|H<1>}	121.5030	0.000	1	121.5030	0.000	1	121.4303	4.389	4	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.3680	0.000	1	124.3680	0.000	1	121.4303	4.389	4	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|C<4>,2|H<1>}	119.9250	0.017	2	119.9250	0.000	2	121.4303	4.389	4	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CF)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CF)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|F<1>,1|H<1>,3|C<4>}	113.8630	0.000	1	113.8630	0.000	1	113.8630	0.000	1	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,5|C<4>}	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	117.2750	0.000	1	117.2750	0.000	1	116.6895	0.206	4	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.5790	0.000	1	116.5790	0.000	1	116.6895	0.206	4	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.4520	0.386	2	116.4520	0.149	2	116.6895	0.206	4	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(Br){2|C<4>,3|H<1>}	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,4|C<3>}	118.7040	0.000	1	118.7040	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	118.7950	0.000	1	118.7950	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	118.6540	0.000	1	118.6540	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	117.2960	0.000	1	117.2960	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	118.0120	0.000	1	118.0120	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	117.2340	0.000	1	117.2340	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	118.1930	0.000	1	118.1930	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>}	117.2400	0.000	1	117.2400	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	118.2820	0.000	1	118.2820	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	116.5740	0.055	2	116.5740	0.003	2	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]S[6]C)(H){1|H<1>,2|C<4>}	117.9580	0.000	1	117.9580	0.000	1	117.7930	0.626	12	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|S<4>,2|C<4>,2|H<1>}	117.5020	0.000	1	117.5020	0.000	1	117.4330	0.021	3	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	117.3985	0.185	2	117.3985	0.034	2	117.4330	0.021	3	119.1709	9.701	32	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C[6](C[6]C[6]O)2(OC){1|H<1>,2|C<4>,2|O<2>}	116.4270	0.000	1	116.4270	0.000	1	117.7480	1.459	4	117.7480	1.459	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	118.1883	1.012	3	118.1883	1.024	3	117.7480	1.459	4	117.7480	1.459	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|H<1>,3|C<4>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	117.2547	3.128	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	117.3000	2.341	2	117.9924	1.769	5	117.9924	1.769	5	117.2547	3.128	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	118.4540	0.000	3	117.9924	1.769	5	117.9924	1.769	5	117.2547	3.128	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H){1|H<1>,2|C<4>}	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	117.2547	3.128	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	125.7730	0.000	1	125.7730	0.000	1	125.7067	0.205	6	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|N<2>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	125.4273	0.202	3	125.4273	0.041	3	125.7067	0.205	6	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	126.5440	0.000	1	126.0925	0.408	2	125.7067	0.205	6	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	125.6410	0.000	1	126.0925	0.408	2	125.7067	0.205	6	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H){1|Rh<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Rh<8>,1|H<1>,2|C<4>}	124.2550	0.000	1	124.2550	0.000	1	124.2550	0.000	1	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC3){2|H<1>,3|C<4>}	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	119.5880	0.141	2	119.5880	0.020	2	119.7993	0.067	4	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	120.0105	0.057	2	120.0105	0.003	2	119.7993	0.067	4	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.3330	0.000	1	119.3330	0.000	1	118.6093	0.484	3	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	118.5500	0.000	1	118.5500	0.000	1	118.6093	0.484	3	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	117.9450	0.000	1	117.9450	0.000	1	118.6093	0.484	3	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	116.8265	0.764	2	116.8265	0.584	2	116.5347	1.050	7	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	117.3555	0.228	2	117.3555	0.052	2	116.5347	1.050	7	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	116.3285	0.879	2	116.3285	0.773	2	116.5347	1.050	7	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3){1|H<1>,2|C<4>}	114.7220	0.000	1	114.7220	0.000	1	116.5347	1.050	7	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC3){2|H<1>,3|C<4>}	118.6500	0.000	1	118.6500	0.000	1	118.6500	0.000	1	120.5612	15.070	23	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(F)	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	C[6](C[6]S[6]HH)(C[6]C[6]F)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(F){1|S<4>,4|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(H){1|H<1>,2|C<4>,2|O<1>}	129.9110	0.000	1	129.9110	0.000	1	129.9110	0.000	1	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	126.0935	0.520	2	126.0935	0.270	2	126.0935	0.270	2	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	125.8900	0.382	8	125.8900	0.146	8	125.8900	0.146	8	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.2310	0.000	1	118.2310	0.000	1	119.1800	1.801	2	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	120.1290	0.000	1	120.1290	0.000	1	119.1800	1.801	2	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	119.7750	0.000	1	119.7750	0.000	1	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	124.6270	0.160	2	124.6270	0.026	2	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	119.9690	0.000	1	119.9690	0.000	1	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	120.1135	0.032	2	120.1135	0.001	2	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	118.7820	0.209	2	118.7820	0.044	2	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.5780	0.000	1	117.5780	0.000	1	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	125.3080	0.000	1	124.9850	0.209	2	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.6620	0.000	1	124.9850	0.209	2	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.9900	0.000	1	124.9900	0.000	1	121.6106	8.680	12	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	124.2940	0.000	1	124.2940	0.000	1	124.3670	0.340	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	124.5473	0.534	4	124.2717	0.481	6	124.3670	0.340	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	123.7205	0.798	2	124.2717	0.481	6	124.3670	0.340	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.3720	0.436	2	124.3720	0.190	2	124.3670	0.340	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<4>}	125.0020	0.000	1	125.0020	0.000	1	124.3670	0.340	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]SiH)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]SiH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.6490	0.000	1	124.6490	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	126.2110	0.000	1	126.2110	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.5530	0.085	2	124.5530	0.007	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.9270	0.000	1	124.7175	0.088	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	124.5080	0.000	1	124.7175	0.088	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HW)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	122.6570	0.000	1	122.6570	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.9350	0.000	1	123.9350	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.3220	0.000	1	124.3220	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.0910	0.000	1	124.0910	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	122.3000	0.404	2	122.3000	0.164	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.5050	0.000	1	124.5050	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.3690	0.000	1	124.3690	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.7130	0.000	1	123.7130	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.4125	0.220	2	123.4125	0.048	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.3760	0.000	1	123.3760	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	124.3940	0.000	1	117.8175	86.501	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	111.2410	0.000	1	117.8175	86.501	2	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	123.7760	0.000	1	123.7760	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.9250	0.000	1	123.9250	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	125.2800	0.000	1	125.2800	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	120.2360	0.000	1	120.2360	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.5190	0.000	1	124.5190	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.0400	0.000	1	124.0400	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	124.3550	0.000	1	124.3550	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|S<4>}	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	126.0340	0.000	1	126.0340	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.2770	0.000	1	124.2770	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	123.3940	0.000	1	123.3940	0.000	1	123.5755	6.720	30	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	124.2775	0.199	2	124.2775	0.039	2	123.7116	0.215	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	123.6435	0.439	6	123.6435	0.193	6	123.7116	0.215	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	123.3820	0.000	1	123.3820	0.000	1	123.7116	0.215	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	123.3180	0.000	1	123.3180	0.000	1	123.7116	0.215	10	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	124.9440	0.000	1	124.9440	0.000	1	124.9440	0.000	1	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	124.7565	0.416	2	124.7565	0.173	2	124.7565	0.173	2	123.6397	6.369	82	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,3|C<4>}	122.6220	0.000	1	122.6220	0.000	1	123.8780	3.155	2	123.8780	3.155	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi){2|H<1>,3|C<4>}	125.1340	0.000	1	125.1340	0.000	1	123.8780	3.155	2	123.8780	3.155	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	123.0645	20.937	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	126.3000	0.000	1	126.3000	0.000	1	126.3000	0.000	1	123.0645	20.937	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3)	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl){1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|P<4>}	126.2990	0.000	1	126.2990	0.000	1	126.2990	0.000	1	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	126.8810	0.000	1	126.8115	0.010	2	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	126.7420	0.000	1	126.8115	0.010	2	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	125.1450	0.000	1	124.8715	0.150	2	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	124.5980	0.000	1	124.8715	0.150	2	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	125.6920	0.000	1	125.6385	0.006	2	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	125.5850	0.000	1	125.6385	0.006	2	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	126.2730	0.000	1	126.2730	0.000	1	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	126.2810	0.000	1	126.2810	0.000	1	125.8996	0.623	8	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.8160	0.000	1	125.8160	0.000	1	126.0933	0.149	3	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	126.2320	0.427	2	126.2320	0.182	2	126.0933	0.149	3	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO){2|H<1>,3|C<4>}	125.3045	0.541	2	125.3045	0.293	2	125.3045	0.293	2	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H){1|Si<4>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3){1|H<1>,4|C<4>}	126.6540	0.332	2	126.6540	0.110	2	126.6540	0.110	2	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH){1|C<3>,2|C<4>,2|H<1>}	126.1330	0.658	2	126.1330	0.432	2	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){2|C<4>,3|H<1>}	122.7070	0.000	1	122.7070	0.000	1	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){2|C<4>,3|H<1>}	126.3100	0.000	1	126.3100	0.000	1	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H){3|C<4>}	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>,3|C<4>}	124.6230	0.000	1	124.6230	0.000	1	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,2|C<4>,2|H<1>}	124.9330	0.000	1	124.9330	0.000	1	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	126.5295	0.136	2	126.5295	0.019	2	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	126.9560	0.000	1	126.9560	0.000	1	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H){2|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>}	126.8030	0.000	1	126.8030	0.000	1	125.7657	1.781	10	125.8981	0.936	26	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<2>,4|C<4>}	125.1220	0.000	1	125.1220	0.000	1	125.1220	0.000	1	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	125.1210	0.000	1	125.1210	0.000	1	125.1210	0.000	1	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CO)(C[6]C[5,6]H)(O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CO)(C[6]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H){1|O<2>,5|C<4>}	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	116.3385	0.204	2	116.3385	0.042	2	115.7284	0.390	5	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	115.1160	0.000	1	115.1160	0.000	1	115.7284	0.390	5	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H){1|H<1>,1|O<2>,6|C<4>}	115.0960	0.000	1	115.0960	0.000	1	115.7284	0.390	5	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	115.7530	0.000	1	115.7530	0.000	1	115.7284	0.390	5	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]H)(O)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	117.5420	1.324	2	117.5420	1.752	2	117.5420	1.752	2	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	116.0850	0.000	1	116.0850	0.000	1	116.7092	1.003	4	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	117.5610	0.054	2	117.5610	0.003	2	116.7092	1.003	4	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	115.6300	0.000	1	115.6300	0.000	1	116.7092	1.003	4	117.6296	10.976	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	120.9550	51.025	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>}	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	120.9550	51.025	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	123.1845	0.139	2	123.1333	0.018	3	123.1333	0.018	3	123.7949	0.590	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<4>}	123.0310	0.000	1	123.1333	0.018	3	123.1333	0.018	3	123.7949	0.590	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,4|C<4>}	123.7770	0.000	1	123.7770	0.000	1	124.2910	0.403	4	123.7949	0.590	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	125.0850	0.000	1	125.0850	0.000	1	124.2910	0.403	4	123.7949	0.590	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	124.1510	0.525	2	124.1510	0.275	2	124.2910	0.403	4	123.7949	0.590	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	3:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|C<4>}	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|O<1>,2|C<4>}	126.8480	0.000	1	126.8480	0.000	1	126.8480	0.000	1	124.9637	2.667	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	124.0850	0.000	1	124.0850	0.000	1	124.0215	0.008	2	124.9637	2.667	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<4>}	123.9580	0.000	1	123.9580	0.000	1	124.0215	0.008	2	124.9637	2.667	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,4|C<4>}	125.7610	0.000	1	125.7610	0.000	1	125.7610	0.000	1	125.7610	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	126.9720	0.910	3	126.9375	0.557	4	126.9375	0.557	4	126.9354	0.418	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	126.8340	0.000	1	126.9375	0.557	4	126.9375	0.557	4	126.9354	0.418	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	126.9270	0.000	1	126.9270	0.000	1	126.9270	0.000	1	126.9354	0.418	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[5,5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]O)(C[6]C[6]H)(H){5|C<4>}	126.2700	0.000	1	126.2700	0.000	1	126.1040	0.055	2	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H){5|C<4>}	125.9380	0.000	1	125.9380	0.000	1	126.1040	0.055	2	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	125.6570	0.000	1	126.3170	0.871	2	125.4410	2.738	3	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	126.9770	0.000	1	126.3170	0.871	2	125.4410	2.738	3	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	123.6890	0.000	1	123.6890	0.000	1	125.4410	2.738	3	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	126.0240	0.000	1	126.0390	0.000	2	124.9447	0.439	10	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	126.0540	0.000	1	126.0390	0.000	2	124.9447	0.439	10	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	125.2790	0.000	1	125.2790	0.000	1	124.9447	0.439	10	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	124.9490	0.000	1	124.9490	0.000	1	124.9447	0.439	10	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	124.7240	0.000	1	124.7240	0.000	1	124.9447	0.439	10	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	124.4834	0.288	5	124.4834	0.083	5	124.9447	0.439	10	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H){5|C<4>}	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|O<2>,4|C<4>}	118.0650	0.190	2	118.0650	0.036	2	118.0650	0.036	2	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	118.4730	0.000	1	118.4730	0.000	1	118.8832	0.836	28	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	119.1430	0.000	1	118.8984	0.861	27	118.8832	0.836	28	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	119.0820	0.574	5	118.8984	0.861	27	118.8832	0.836	28	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	118.7061	1.129	16	118.8984	0.861	27	118.8832	0.836	28	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	119.2270	0.330	4	118.8984	0.861	27	118.8832	0.836	28	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	119.4990	0.000	1	118.8984	0.861	27	118.8832	0.836	28	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	117.5130	2.189	3	117.5130	4.791	3	119.1318	6.557	6	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	118.5360	0.000	1	118.5360	0.000	1	119.1318	6.557	6	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){3|C<4>}	121.8580	0.351	2	121.8580	0.123	2	119.1318	6.557	6	120.6794	9.822	52	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN){1|O<1>,2|C<3>,3|C<4>}	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	119.6122	3.487	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:2:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	118.8568	0.919	4	118.8568	0.845	4	118.8568	0.845	4	119.6122	3.487	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3)	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3){5|C<4>}	124.8090	0.000	1	124.8090	0.000	1	124.8090	0.000	1	124.6565	3.063	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	125.8375	0.233	2	125.8375	0.054	2	125.8375	0.054	2	124.6565	3.063	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,3|C<4>}	122.1420	0.000	1	122.1420	0.000	1	122.1420	0.000	1	124.6565	3.063	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[4x6]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[4x6]N[5a]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,5|C<4>}	124.4560	0.000	1	124.4560	0.000	1	124.4560	0.000	1	124.7436	0.434	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){5|C<4>}	126.0880	0.000	1	126.0880	0.000	1	126.0880	0.000	1	124.7436	0.434	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,5|C<4>}	124.7935	0.329	2	124.7935	0.108	2	124.7935	0.108	2	124.7436	0.434	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){5|C<4>}	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	124.7436	0.434	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]CC)(C[6]C[6]I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(I)	C[6](C[6]C[6]CC)(C[6]C[6]I)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(I){1|C<3>,2|H<1>,5|C<4>}	124.2155	0.182	2	124.2155	0.033	2	124.2155	0.033	2	124.7436	0.434	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:I-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(I)	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(I){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO){2|H<1>,3|C<4>}	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	119.6247	36.014	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	117.4120	0.000	1	117.4120	0.000	1	116.2280	2.804	2	119.6247	36.014	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H)	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>}	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H){1|H<1>,6|C<4>}	115.0440	0.000	1	115.0440	0.000	1	116.2280	2.804	2	119.6247	36.014	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	126.7920	0.000	2	126.7920	0.000	2	126.7920	0.000	2	126.1877	1.096	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH){3|C<4>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<3>,4|C<4>}	124.9790	0.000	1	124.9790	0.000	1	124.9790	0.000	1	126.1877	1.096	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[5]C[6]H)(C[6]O[6]H)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){2|H<1>,3|C<4>}	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6,6]C[3]H)(C[6]O[6]C)(H)	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6,6]C[3]H)(C[6]O[6]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,7|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	123.6315	0.910	2	123.6315	0.828	2	123.6315	0.828	2	123.3490	0.654	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6]2H)(C[6]O[6]C)(H)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CHO)	C[6](C[6]C[6]2H)(C[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CHO){1|O<2>,2|C<4>,2|H<1>}	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	123.3490	0.654	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]H)(H){1|Ca<12>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,2|H<1>,3|C<4>}	126.4712	0.216	4	126.4712	0.047	4	126.4712	0.047	4	118.8855	24.327	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	117.6130	0.000	1	117.6130	0.000	1	116.4352	0.526	6	118.8855	24.327	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	116.9170	0.000	1	116.1996	0.241	5	116.4352	0.526	6	118.8855	24.327	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	116.0203	0.327	4	116.1996	0.241	5	116.4352	0.526	6	118.8855	24.327	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]2H)(C[6]C[6]I)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]2H)(C[6]C[6]I)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|O<2>,2|C<4>,2|H<1>}	115.4428	2.627	4	115.4428	6.899	4	115.4428	6.899	4	118.8855	24.327	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:O-1:	Si-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]H)(O)	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Si<4>,1|C<4>,3|H<1>}	117.0150	0.000	1	117.0150	0.000	1	117.0150	0.000	1	118.8855	24.327	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	117.7773	3.029	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	119.8390	0.000	1	119.8390	0.000	1	118.1920	3.512	3	117.7773	3.029	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	118.5840	0.000	1	117.3685	2.955	2	118.1920	3.512	3	117.7773	3.029	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	116.1530	0.000	1	117.3685	2.955	2	118.1920	3.512	3	117.7773	3.029	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	119.1190	0.686	2	119.1190	0.470	2	119.1190	0.470	2	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.9680	0.000	1	123.9680	0.000	1	123.7507	0.210	3	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	123.2240	0.000	1	123.2240	0.000	1	123.7507	0.210	3	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	124.0600	0.000	1	124.0600	0.000	1	123.7507	0.210	3	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|Fe<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	126.9090	0.000	1	126.9090	0.000	1	126.7413	0.069	3	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	126.6575	0.309	2	126.6575	0.095	2	126.7413	0.069	3	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){2|Br<1>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,2|C<4>,2|H<1>}	124.6040	0.000	1	124.6040	0.000	1	124.2535	0.246	2	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.9030	0.000	1	123.9030	0.000	1	124.2535	0.246	2	123.6155	7.616	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	122.3175	4.740	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:P-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HP)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HP)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,2|H<1>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	122.3175	4.740	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:2:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	125.4120	0.000	1	125.4120	0.000	1	125.4120	0.000	1	125.4120	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[6]-4:C[6]-3:I-1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(I)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]I)(H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(I){1|C<3>,2|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]I)(H){1|O<2>,2|C<4>,2|H<1>}	125.3040	0.014	2	125.3040	0.000	2	125.3040	0.000	2	125.3040	0.000	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	125.6700	0.000	1	125.6700	0.000	1	125.4555	1.166	4	123.0140	16.309	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	126.6670	0.000	1	126.0525	0.755	2	125.4555	1.166	4	123.0140	16.309	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	125.4380	0.000	1	126.0525	0.755	2	125.4555	1.166	4	123.0140	16.309	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,3|C<4>}	124.0470	0.000	1	124.0470	0.000	1	125.4555	1.166	4	123.0140	16.309	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	119.9360	0.000	1	119.9360	0.000	1	118.1310	6.516	2	123.0140	16.309	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	116.3260	0.000	1	116.3260	0.000	1	118.1310	6.516	2	123.0140	16.309	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	5:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,8|H<1>,9|B<6>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<5>,2|H<1>}	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	6:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x3,3x5,13x6]-6:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]H)(H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Ru)(C[6]C[6]H)(H)2	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]H)(H){1|Ru<8>,1|C<6>,2|H<1>,3|B<6>}	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Ru)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]H)(H){1|Ru<8>,1|C<6>,2|H<1>,3|B<6>}	126.7202	0.160	4	126.7202	0.025	4	126.7202	0.025	4	126.7202	0.025	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	6:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,9|B<6>,9|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<6>,2|H<1>}	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:1:	6:4:3:1:	4:3:4:	C[6]-4:C[6]-3:H-1:	C[3,3]-6:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H)	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H){1|Pd<5>,1|C<2>,1|C<3>,2|C<1>,2|H<1>,3|C<4>}	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,1|C<4>,1|C<6>,2|H<1>}	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	2:3:3:4:	3:3:4:	C[6]-4:C[6]-3:N-2:	O-2:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC)	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC){1|C<3>,2|H<1>}	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi)	C[6](C[6]C[6]O)(O[6]N[6])(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O)	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O){1|O<2>,2|H<1>,3|C<3>}	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:2:2:1:	3:3:1:	C[6]-4:C[6]-3:S-2:	C[6]-3:C[6]-2:S-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(SPd)	C[6](C[6]C[6]S)(C[6]C[6])(SPd)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(SPd){1|C<3>,1|O<2>}	C[6](C[6]C[6]S)(C[6]C[6])(SPd)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<2>,1|H<1>,1|O<2>,1|S<2>}	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:2:3:1:	4:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.1910	0.000	1	124.1910	0.000	1	124.1910	0.000	1	124.1910	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:F-1:	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]C)(O[6]C[6])(F)	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC){2|C<3>}	C[6](C[6]C[6]C)2(H)2{1|C<4>,1|F<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(F){1|C<3>,1|C<4>,2|H<1>}	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:2:3:	C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH){1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:D-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	122.4607	5.404	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	122.9210	0.366	2	122.9210	0.134	2	122.9210	0.134	2	122.4607	5.404	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	122.4607	5.404	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I)	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2{1|I<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I){2|C<3>,2|H<1>}	117.9540	0.000	1	117.9540	0.000	1	117.9540	0.000	1	122.4607	5.404	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	122.4607	5.404	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|H<1>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	121.9235	1.112	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,3|H<1>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	121.9235	1.112	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	122.9545	0.398	2	122.9545	0.158	2	122.9545	0.158	2	121.8950	3.447	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH){1|C<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<1>,1|C<3>,1|H<1>,1|O<2>}	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	121.8950	3.447	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,2|H<1>}	125.9870	0.000	1	125.9870	0.000	1	125.9870	0.000	1	123.9685	8.149	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	123.9685	8.149	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:2:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,4|C<3>}	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	125.1490	0.000	1	125.1490	0.000	1	125.1490	0.000	1	125.1490	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:2:2:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|O<2>}	122.0610	0.070	3	122.0610	0.005	3	122.0610	0.005	3	122.0610	0.005	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:2:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(NH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NH){1|H<1>,3|C<3>}	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	124.3445	0.902	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:2:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC){1|H<1>,3|C<3>}	123.6730	0.000	1	123.6730	0.000	1	123.6730	0.000	1	124.3445	0.902	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	124.1555	0.149	2	124.1555	0.022	2	124.1555	0.022	2	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,2|C<3>}	125.7137	0.201	3	125.6993	0.028	4	125.6192	0.053	5	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	125.6560	0.000	1	125.6993	0.028	4	125.6192	0.053	5	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	125.2990	0.000	1	125.2990	0.000	1	125.6192	0.053	5	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.1400	0.000	1	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	122.1770	0.000	1	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.8250	0.550	3	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	122.9280	0.000	1	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	123.0070	0.000	1	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.7254	0.610	13	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	122.9450	0.000	1	122.7668	0.285	21	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	124.1910	0.000	1	124.1910	0.000	1	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.7723	0.408	3	122.7723	0.166	3	122.8244	0.333	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	124.2205	0.172	2	124.2205	0.030	2	124.2205	0.030	2	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.3690	0.000	1	123.4888	0.324	18	123.5127	0.270	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.4292	0.573	5	123.4888	0.324	18	123.5127	0.270	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.4679	0.647	10	123.4888	0.324	18	123.5127	0.270	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	124.1130	0.000	1	123.4888	0.324	18	123.5127	0.270	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.4910	0.000	1	123.4888	0.324	18	123.5127	0.270	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.5743	0.397	7	123.5743	0.158	7	123.5127	0.270	25	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.6620	1.457	2	122.6620	2.122	2	122.6620	2.122	2	123.4102	0.885	62	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3){1|C<4>,1|H<1>,2|C<3>}	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:Br-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(Br)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN){4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(Br){1|H<1>,3|C<3>}	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-2:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(NC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NC){1|C<4>,1|H<1>,2|C<3>}	123.8300	0.000	1	123.8300	0.000	1	123.8300	0.000	1	123.8300	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:N-3:	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	124.9630	0.000	1	124.9630	0.000	1	124.9630	0.000	1	122.5097	1.475	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	122.5268	0.415	6	122.5268	0.172	6	122.1566	0.628	14	122.5097	1.475	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	121.8257	0.975	7	121.8790	0.837	8	122.1566	0.628	14	122.5097	1.475	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	122.2520	0.000	1	121.8790	0.837	8	122.1566	0.628	14	122.5097	1.475	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	122.5097	1.475	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	124.4495	0.419	2	124.4495	0.176	2	124.4495	0.176	2	124.4495	0.176	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC){6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){3|H<1>,5|C<3>}	121.9455	0.153	2	121.9455	0.024	2	121.9455	0.024	2	123.1765	0.804	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a])	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a]){1|H<1>,1|N<3>,2|C<3>}	123.1280	0.000	1	123.1280	0.000	1	123.1280	0.000	1	123.1765	0.804	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	123.6206	0.735	7	123.6206	0.541	7	123.4903	0.599	8	123.1765	0.804	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	122.5780	0.000	1	122.5780	0.000	1	123.4903	0.599	8	123.1765	0.804	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	125.8530	0.000	1	125.8530	0.000	1	125.8530	0.000	1	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|H<1>,4|C<3>}	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	123.4260	0.000	1	123.0890	0.164	3	122.8364	0.225	5	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	122.9205	0.398	2	123.0890	0.164	3	122.8364	0.225	5	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.4575	0.303	2	122.4575	0.092	2	122.8364	0.225	5	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.8840	0.000	1	123.8840	0.000	1	123.8840	0.000	1	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	122.6630	0.000	2	122.6630	0.000	2	122.9145	0.104	4	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	123.1660	0.242	2	123.1660	0.058	2	122.9145	0.104	4	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	119.8250	0.064	2	119.8250	0.004	2	121.2185	3.576	4	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	121.3960	0.000	1	121.3960	0.000	1	121.2185	3.576	4	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	123.8280	0.000	1	123.8280	0.000	1	121.2185	3.576	4	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	123.3252	0.436	10	123.1031	0.714	11	123.1031	0.714	11	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	120.8820	0.000	1	123.1031	0.714	11	123.1031	0.714	11	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	122.6135	1.618	4	122.6135	2.619	4	122.6135	2.619	4	122.9218	1.856	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	123.8030	0.010	2	123.2750	0.836	3	123.2750	0.836	3	123.4103	1.129	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.2190	0.000	1	123.2750	0.836	3	123.2750	0.836	3	123.4103	1.129	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.2290	0.184	2	123.4914	1.535	5	123.4914	1.535	5	123.4103	1.129	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	124.3330	0.630	3	123.4914	1.535	5	123.4914	1.535	5	123.4103	1.129	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.6530	0.000	1	125.6530	0.000	1	125.6530	0.000	1	125.6530	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	124.3320	0.000	1	124.7820	0.107	4	124.7820	0.107	4	124.7820	0.107	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	124.8450	0.000	1	124.7820	0.107	4	124.7820	0.107	4	124.7820	0.107	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	124.9755	0.202	2	124.7820	0.107	4	124.7820	0.107	4	124.7820	0.107	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,1|O<2>,2|C<3>}	123.7270	0.339	2	123.7270	0.115	2	123.7270	0.115	2	123.7270	0.115	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:2:	4:3:2:	C[6]-4:C[6]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a]){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a]){1|O<2>,7|C<3>}	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	121.4990	0.000	2	121.4990	0.000	2	121.4990	0.000	2	121.4990	0.000	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:3:	4:3:2:	C[6]-4:C[6]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a]){1|O<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a]){6|C<3>}	112.6290	0.000	1	112.6290	0.000	1	112.6290	0.000	1	112.6290	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:3:4:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<2>,2|C<3>}	126.3110	0.000	1	126.3110	0.000	1	126.3110	0.000	1	126.3110	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.0075	0.313	2	122.0075	0.098	2	122.4657	0.352	4	122.4657	0.352	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.9240	0.345	2	122.9240	0.119	2	122.4657	0.352	4	122.4657	0.352	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)2(CCCH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	121.1910	0.000	1	121.1910	0.000	1	122.0640	1.524	2	122.0883	0.764	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	122.9370	0.000	1	122.9370	0.000	1	122.0640	1.524	2	122.0883	0.764	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,1|N<3>,2|C<4>}	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.0883	0.764	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	125.3650	0.000	1	125.3650	0.000	1	125.3650	0.000	1	123.7740	1.951	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	124.3935	0.416	2	124.3935	0.173	2	124.3935	0.173	2	123.7740	1.951	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	122.3590	0.571	2	122.3590	0.326	2	122.3590	0.326	2	123.7740	1.951	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[6a]CH)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.1880	0.635	2	123.1880	0.403	2	123.1880	0.403	2	123.1880	0.403	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:3:	2:3:2:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:C-3:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|C<4>,3|C<3>}	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:3:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6]-3:C-4:C-3:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>}	124.8870	0.000	1	124.8870	0.000	1	124.8870	0.000	1	123.9175	1.880	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:3:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:C-3:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	123.9175	1.880	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	2:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:C-4:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>}	126.5440	0.000	1	126.5440	0.000	1	126.5440	0.000	1	126.5440	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	2:3:2:	C[6]-4:C[6]-3:N-2:	C[5,6]-3:C[6]-3:C-4:C-4:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[5,6]CC)(C[6]O[6]N)(NC[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6])	C[6](C[6]C[5,6]CC)(C[6]O[6]N)(NC[6]){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6]){2|C<3>,2|C<4>}	113.8830	0.000	1	113.8830	0.000	1	113.8830	0.000	1	113.8830	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6]-3:C-4:C-4:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<3>,1|N<2>,2|C<4>}	126.6770	0.549	2	126.6770	0.301	2	126.6770	0.301	2	126.6770	0.301	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|O<1>}	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<2>,3|C<4>}	125.6837	0.327	3	125.6837	0.107	3	125.6837	0.107	3	125.6837	0.107	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CCHH)(CH3)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	124.3350	0.000	1	124.3350	0.000	1	123.9505	0.142	4	123.9505	0.142	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH)(CH3)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<4>,2|O<1>}	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	123.6360	0.143	2	123.6360	0.020	2	123.9505	0.142	4	123.9505	0.142	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	124.1950	0.000	1	124.1950	0.000	1	123.9505	0.142	4	123.9505	0.142	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	124.9670	0.245	2	124.9670	0.060	2	124.9670	0.060	2	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH){2|C<3>,2|C<4>}	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CH3)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,3|C<4>}	124.7690	0.083	2	124.7690	0.007	2	124.6951	0.078	7	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH)2	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	124.5890	0.000	1	124.5890	0.000	1	124.6951	0.078	7	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH)2	C[6](C[6]C[6]O)2(CC[5]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CC[5]HH){2|C<3>,2|C<4>}	124.2680	0.000	1	124.2680	0.000	1	124.6951	0.078	7	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2	C[6](C[6]C[6]O)2(CC[6a]CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	125.0100	0.035	2	125.0100	0.001	2	124.6951	0.078	7	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	124.4510	0.000	1	124.4510	0.000	1	124.6951	0.078	7	124.8021	0.093	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH)	C[6](C[6]C[6]O)2(CCHH)2	C[6](C[6]C[6]2H)(C[6]C[6]O)2	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]O)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	124.6070	0.000	1	124.6070	0.000	1	124.6070	0.000	1	124.6070	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:4:4:	4:3:4:	C[6]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.8332	0.511	4	122.8332	0.261	4	122.3726	0.600	8	122.3726	0.600	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	121.5215	0.853	2	121.5215	0.728	2	122.3726	0.600	8	122.3726	0.600	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.7390	0.000	1	122.3025	0.381	2	122.3726	0.600	8	122.3726	0.600	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	121.8660	0.000	1	122.3025	0.381	2	122.3726	0.600	8	122.3726	0.600	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	123.2497	1.009	3	123.2497	1.018	3	123.2497	1.018	3	123.2497	1.018	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	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>}	123.3430	0.000	1	123.3430	0.000	1	123.4633	0.057	4	123.4633	0.057	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	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>}	123.5680	0.000	1	123.5033	0.076	3	123.4633	0.057	4	123.4633	0.057	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,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>}	123.4710	0.382	2	123.5033	0.076	3	123.4633	0.057	4	123.4633	0.057	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.4890	0.042	2	121.6413	0.159	6	121.6413	0.159	6	121.6413	0.159	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.7175	0.492	4	121.6413	0.159	6	121.6413	0.159	6	121.6413	0.159	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	4:3:3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	126.4875	0.493	2	126.4875	0.243	2	126.4875	0.243	2	125.4543	3.324	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH){1|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	123.3880	0.000	1	123.3880	0.000	1	123.3880	0.000	1	125.4543	3.324	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:O-2:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	125.1750	0.000	1	125.0135	0.052	2	125.0135	0.052	2	125.0135	0.052	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:O-2:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.8520	0.000	1	125.0135	0.052	2	125.0135	0.052	2	125.0135	0.052	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:3:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,5|C<3>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	3:4:3:4:	3:4:3:	C[6]-4:C[6]-3:O-2:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	125.3700	0.000	1	125.3700	0.000	1	125.3700	0.000	1	125.3700	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:S[6]-2:N-3:	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	126.0540	0.000	1	126.0540	0.000	1	126.0540	0.000	1	120.1488	11.162	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2)	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2){1|C<4>,4|H<1>}	118.6725	0.594	4	118.6725	0.353	4	118.6725	0.353	4	120.1488	11.162	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5])	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5]){1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	118.1340	0.283	2	118.1340	0.080	2	118.1340	0.080	2	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	117.2090	0.000	1	117.2090	0.000	1	117.9227	0.424	3	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|N<3>,3|C<3>}	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	118.4840	0.000	1	118.4840	0.000	1	117.9227	0.424	3	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO)	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	118.0750	0.000	1	118.0750	0.000	1	117.9227	0.424	3	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	124.9290	0.037	2	124.9290	0.001	2	124.9290	0.001	2	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<4>,3|H<1>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(Br){2|C<4>,3|H<1>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	123.7520	0.000	1	123.7520	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	120.6645	0.510	2	120.6645	0.260	2	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a]){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	125.5843	0.489	6	125.5843	0.239	6	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	122.6330	0.000	1	122.6330	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,3|H<1>}	122.4730	0.000	1	122.4730	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	121.0370	0.396	2	121.0370	0.157	2	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	121.0560	0.000	1	121.0560	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPd)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPd){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	121.2940	0.000	1	121.2940	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPt)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPt){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	121.2160	0.000	1	121.2160	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(ORu)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(ORu){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	117.6880	0.000	1	117.6880	0.000	1	122.7659	6.152	17	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.4770	0.000	1	123.4770	0.000	1	123.4770	0.000	1	121.7844	7.717	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-2:	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	118.6063	0.484	3	118.6063	0.234	3	118.6063	0.234	3	119.5516	1.953	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OCu)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OCu){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]O)2(NN){1|C<4>,4|H<1>}	120.4030	0.000	1	120.4030	0.000	1	120.4030	0.000	1	119.5516	1.953	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(SC[6])	C[6](C[6]C[6]HH)(C[6]C[6]S)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]O)2(SC[6]){1|C<4>,4|H<1>}	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	119.5516	1.953	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	119.6280	0.000	1	119.6280	0.000	1	118.4650	2.705	2	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO){1|C<4>,2|C<3>,3|H<1>}	117.3020	0.000	1	117.3020	0.000	1	118.4650	2.705	2	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO){1|C<4>,4|H<1>}	115.9660	0.000	1	115.9660	0.000	1	115.9660	0.000	1	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CNO){1|C<4>,4|H<1>}	123.1690	0.000	1	123.1690	0.000	1	122.6600	0.439	5	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	122.3050	0.000	1	122.3050	0.000	1	122.6600	0.439	5	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	121.6590	0.000	1	121.6590	0.000	1	122.6600	0.439	5	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	123.0835	0.097	2	123.0835	0.009	2	122.6600	0.439	5	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	120.1030	0.000	1	120.1030	0.000	1	120.1030	0.000	1	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	120.7694	6.318	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-2:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	117.9880	0.691	3	117.9880	0.477	3	117.9880	0.477	3	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO){1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,4|H<1>}	117.8380	0.754	2	117.8380	0.568	2	117.9070	5.603	4	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	115.1280	0.000	1	115.1280	0.000	1	117.9070	5.603	4	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	120.8240	0.000	1	120.8240	0.000	1	117.9070	5.603	4	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	123.8390	0.000	1	123.8390	0.000	1	123.8390	0.000	1	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	124.6064	0.558	5	124.6064	0.311	5	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	124.3450	0.000	1	124.3450	0.000	1	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	124.0710	0.000	1	124.0710	0.000	1	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[3]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[3]HH){1|C<4>,4|H<1>}	123.1240	0.000	1	123.1240	0.000	1	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	122.3291	0.577	10	122.3291	0.333	10	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	123.2695	0.340	2	123.2695	0.116	2	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	123.3430	0.000	1	123.3430	0.000	1	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	124.4513	0.977	3	124.4513	0.954	3	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	121.7040	0.000	1	121.7040	0.000	1	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	121.9177	0.443	6	121.9177	0.196	6	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	122.3920	0.122	2	122.3920	0.015	2	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	124.5490	0.000	1	124.5490	0.000	1	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	124.5038	0.179	5	124.5038	0.032	5	123.2349	1.457	39	122.3697	5.521	48	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.3140	0.000	1	122.3140	0.000	1	121.4555	1.474	2	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	120.5970	0.000	1	120.5970	0.000	1	121.4555	1.474	2	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|H<1>}	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	119.8140	0.000	1	119.8140	0.000	1	122.9800	20.047	2	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	126.1460	0.000	1	126.1460	0.000	1	122.9800	20.047	2	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC){2|H<1>,3|C<4>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OSi)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OSi){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	121.5601	13.681	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){1|C<4>,4|H<1>}	119.6915	0.781	2	119.6915	0.611	2	119.5998	0.691	4	119.5998	0.691	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO){1|C<4>,4|H<1>}	119.5080	1.195	2	119.5080	1.428	2	119.5998	0.691	4	119.5998	0.691	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,3|H<1>}	121.9330	0.000	1	121.9330	0.000	1	121.5025	0.371	2	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO){3|C<4>,5|H<1>}	121.0720	0.000	1	121.0720	0.000	1	121.5025	0.371	2	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	123.8020	0.000	1	123.8020	0.000	1	123.3783	0.126	6	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	123.5715	0.046	2	123.5715	0.002	2	123.3783	0.126	6	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	123.4270	0.000	1	123.4270	0.000	1	123.3783	0.126	6	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	122.9490	0.072	2	122.9490	0.005	2	123.3783	0.126	6	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,2|H<1>}	123.1090	0.000	1	123.1090	0.000	1	123.9097	0.501	3	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	124.3100	0.199	2	124.3100	0.040	2	123.9097	0.501	3	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	124.0660	0.000	1	124.0660	0.000	1	123.2309	0.546	35	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	123.2063	0.735	34	123.2063	0.541	34	123.2309	0.546	35	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	124.5130	0.000	1	124.5130	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	124.0220	0.000	1	124.0220	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	124.8850	0.000	1	124.8850	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.9060	0.000	1	123.9060	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	124.3350	0.000	1	124.3350	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	123.6480	0.000	1	123.6480	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	124.2920	0.000	1	124.2920	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,3|C<3>,3|H<1>}	124.2460	0.000	1	123.9923	0.097	3	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	123.8655	0.312	2	123.9923	0.097	3	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO){1|S<4>,3|C<4>,3|H<1>}	123.9905	0.361	2	123.9905	0.131	2	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	123.8360	0.000	1	123.2274	1.751	11	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.9995	0.553	4	123.2274	1.751	11	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	122.6112	1.520	6	123.2274	1.751	11	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	123.4250	0.322	2	123.4250	0.104	2	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.7410	0.000	1	123.7410	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){1|C<4>,3|C<3>,3|H<1>}	121.5440	0.000	1	121.5440	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	126.1630	0.000	1	126.1630	0.000	1	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<4>,4|H<1>}	121.6120	0.209	2	121.6120	0.044	2	123.5527	1.475	30	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	124.7070	0.055	2	124.7070	0.003	2	124.1867	0.814	3	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	123.1460	0.000	1	123.1460	0.000	1	124.1867	0.814	3	123.3826	0.981	79	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	127.0480	0.000	1	127.0480	0.000	1	127.0480	0.000	1	127.0480	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,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>}	123.3690	0.000	1	123.3690	0.000	1	123.3690	0.000	1	123.3690	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	123.2355	1.413	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	123.2355	1.413	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	122.4433	0.105	3	122.4433	0.011	3	122.4433	0.011	3	122.4433	0.011	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|O<2>}	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	121.8770	0.040	2	121.8770	0.002	2	121.8770	0.002	2	122.3014	1.415	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OSi)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OSi){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	122.3014	1.415	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	123.2010	0.000	1	123.2010	0.000	1	123.2010	0.000	1	122.3014	1.415	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	122.3014	1.415	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	122.2857	0.772	3	122.2857	0.596	3	122.2857	0.596	3	122.2857	0.596	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,1|H<1>,2|C<2>}	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	118.1325	32.910	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]OO)(C[6]C[6]O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|H<1>,2|C<4>,2|O<2>}	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	118.1325	32.910	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5075	0.831	2	121.5075	0.690	2	121.5075	0.690	2	121.5075	0.690	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-2:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN){2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	124.1700	0.000	1	124.1700	0.000	1	124.1700	0.000	1	122.0527	13.304	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	117.8410	0.000	1	117.8410	0.000	1	117.8410	0.000	1	122.0527	13.304	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(OC)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(OC){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	124.1470	0.000	1	124.1470	0.000	1	124.1470	0.000	1	122.0527	13.304	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN){1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.2010	0.000	1	123.2010	0.000	1	123.2010	0.000	1	122.3375	1.491	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	121.4740	0.000	1	121.4740	0.000	1	121.4740	0.000	1	122.3375	1.491	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	125.2275	0.197	2	125.2275	0.039	2	125.2275	0.039	2	124.6900	0.886	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC)	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6150	0.000	1	123.6150	0.000	1	123.6150	0.000	1	124.6900	0.886	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	124.8520	0.000	1	124.8520	0.000	1	124.8520	0.000	1	124.1605	3.072	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN){1|C<4>,1|S<2>,2|C<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	128.0990	0.342	2	128.0990	0.117	2	128.0990	0.117	2	124.1605	3.072	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	124.4380	0.000	1	124.4380	0.000	1	123.3815	0.164	11	124.1605	3.072	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	123.2759	0.214	10	123.2759	0.046	10	123.3815	0.164	11	124.1605	3.072	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:2:	3:3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>}	122.9300	0.000	1	122.9300	0.000	1	122.9300	0.000	1	122.9300	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:3:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	121.5704	2.857	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:3:	3:3:1:	C[6]-4:C[6]-3:O-2:	P-4:C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|P<4>,2|C<3>}	122.9905	0.320	2	122.9905	0.103	2	121.3702	3.542	4	121.5704	2.857	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:3:	3:3:1:	C[6]-4:C[6]-3:O-2:	P-4:C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh){1|C<3>,1|H<1>,1|O<2>}	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|P<4>,2|C<3>}	119.7500	0.150	2	119.7500	0.022	2	121.3702	3.542	4	121.5704	2.857	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:3:4:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	125.0010	0.000	1	125.0010	0.000	1	121.9903	2.440	6	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	121.2680	0.000	1	121.2680	0.000	1	121.9903	2.440	6	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	121.6260	0.000	1	121.6260	0.000	1	121.9903	2.440	6	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	120.7320	0.000	1	120.7320	0.000	1	121.9903	2.440	6	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	121.6575	0.822	2	121.6575	0.676	2	121.9903	2.440	6	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	121.9958	1.791	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]O)(SC)	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]N[6,6]O)(C[6]C[6]O)(SC){1|H<1>,3|C<4>}	121.7110	0.000	1	121.7110	0.000	1	121.7110	0.000	1	122.8423	0.960	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	123.4080	0.014	2	123.4080	0.000	2	123.4080	0.000	2	122.8423	0.960	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5])	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5]){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a])	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a]){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H){1|H<1>,3|C<4>}	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:3:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	117.3760	2.844	2	117.3760	8.088	2	117.3760	8.088	2	117.3760	8.088	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	122.9285	2.734	2	122.9285	7.477	2	122.9285	7.477	2	122.9285	7.477	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	124.3065	0.279	2	124.3065	0.078	2	124.3065	0.078	2	124.3065	0.078	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO){5|C<4>}	124.5625	0.070	2	124.5625	0.005	2	125.0377	0.680	3	125.0377	0.680	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){5|C<4>}	125.9880	0.000	1	125.9880	0.000	1	125.0377	0.680	3	125.0377	0.680	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO){3|C<4>,4|C<3>}	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	112.5977	0.445	3	112.5977	0.198	3	112.5977	0.198	3	115.1890	6.050	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|O<2>,4|H<1>}	117.1325	0.466	4	117.1325	0.217	4	117.1325	0.217	4	115.1890	6.050	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	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)2(CCC){1|O<1>,1|O<2>,2|H<1>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|H<1>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|O<2>}	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	122.4975	7.554	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:2:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]N)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	124.4410	0.000	1	124.4410	0.000	1	124.4410	0.000	1	122.4975	7.554	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|H<1>,3|C<3>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<3>}	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	116.4683	1.415	7	116.4683	2.003	7	117.0912	6.545	9	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	119.2715	5.303	2	119.2715	28.118	2	117.0912	6.545	9	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|H<1>,3|C<3>}	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|O<2>,2|H<1>,3|C<3>}	124.4600	0.000	1	124.4600	0.000	1	124.4600	0.000	1	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	126.6975	1.354	2	127.0510	0.976	4	127.0510	0.976	4	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	126.8590	0.000	1	127.0510	0.976	4	127.0510	0.976	4	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	127.9500	0.000	1	127.0510	0.976	4	127.0510	0.976	4	120.4586	22.075	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-2:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	120.0460	9.031	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	122.1710	0.000	1	122.1710	0.000	1	122.1710	0.000	1	120.0460	9.031	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:4:2:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,2|O<2>}	117.0550	0.000	1	117.0550	0.000	1	117.0550	0.000	1	117.0550	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:4:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	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]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:4:4:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,4|C<4>}	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:4:4:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|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)(C[6]C[6]C)(CC[6]C){1|O<1>,1|O<2>,2|C<4>}	113.3790	0.565	3	113.3790	0.320	3	113.3790	0.320	3	113.3790	0.320	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:2:4:4:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>}	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]HH)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]HH)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:S[6]-2:S-2:	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(S[6]C[6])(SC)	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<3>,1|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|N<3>,4|H<1>}	123.7310	0.000	1	123.7310	0.000	1	123.7310	0.000	1	123.7310	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(H)2{1|C<4>,1|F<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|F<1>,2|H<1>}	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	118.1640	0.000	1	118.1640	0.000	1	118.1640	0.000	1	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]N[6]S)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H){1|C<3>,2|H<1>}	119.6500	0.000	1	119.6500	0.000	1	120.7670	2.495	2	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	121.8840	0.000	1	121.8840	0.000	1	120.7670	2.495	2	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>}	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	114.1980	0.000	1	114.1980	0.000	1	116.9813	9.598	8	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,4|H<1>}	116.0440	0.139	2	116.0440	0.019	2	116.9813	9.598	8	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O){1|S<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	116.6120	0.000	1	116.6120	0.000	1	116.9813	9.598	8	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH){1|S<4>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,3|H<1>}	114.6685	0.384	2	114.6685	0.147	2	116.9813	9.598	8	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,4|H<1>}	121.8075	0.309	2	121.8075	0.095	2	116.9813	9.598	8	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	118.0417	0.486	3	118.0417	0.236	3	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	118.3067	0.792	4	118.3067	0.627	4	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	118.5178	0.561	6	118.5178	0.315	6	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	117.9140	1.072	2	117.6453	0.453	50	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	117.6374	0.507	34	117.6453	0.453	50	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	117.6260	0.977	14	117.6453	0.453	50	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	118.0445	0.627	4	118.0445	0.393	4	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	118.0567	0.532	6	118.0567	0.283	6	117.8252	0.483	73	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,4|H<1>}	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|P<3>,2|H<1>}	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	117.8644	1.545	87	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|C<3>,4|H<1>}	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	120.7610	0.889	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	120.4324	0.308	13	120.4324	0.095	13	120.4324	0.095	13	120.7610	0.889	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	122.8200	0.000	1	122.8200	0.000	1	121.6280	2.842	2	120.7610	0.889	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	120.4360	0.000	1	120.4360	0.000	1	121.6280	2.842	2	120.7610	0.889	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	117.8320	0.000	1	117.8320	0.000	1	119.5750	2.281	3	119.5750	2.281	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	120.4465	0.070	2	120.4465	0.005	2	119.5750	2.281	3	119.5750	2.281	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	119.1227	0.894	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,4|H<1>}	117.9850	0.399	2	117.9850	0.159	2	117.9850	0.159	2	119.1227	0.894	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	119.2246	0.290	5	119.2246	0.084	5	119.2246	0.084	5	119.1227	0.894	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<3>,2|H<1>}	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	119.4157	2.207	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a])	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H){1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a]){1|N<3>,4|H<1>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	119.4157	2.207	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH)	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH){1|C<3>,2|N<3>,4|H<1>}	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	119.4157	2.207	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[4,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO)	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	124.4843	0.171	4	124.4843	0.029	4	124.4843	0.029	4	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	123.5270	0.427	2	123.5270	0.182	2	123.5270	0.182	2	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	122.8080	0.123	2	122.6647	0.102	4	122.6647	0.102	4	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	122.5215	0.456	2	122.6647	0.102	4	122.6647	0.102	4	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	122.5460	0.178	4	122.5460	0.032	4	117.4518	62.313	6	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	107.2635	0.248	2	107.2635	0.062	2	117.4518	62.313	6	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	122.1843	0.300	4	122.1843	0.090	4	120.5338	11.366	13	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|C<3>,2|H<1>}	114.6767	0.220	3	114.6767	0.049	3	120.5338	11.366	13	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	122.5080	0.235	2	122.5080	0.055	2	120.5338	11.366	13	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	122.2890	0.824	4	122.2890	0.678	4	120.5338	11.366	13	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2){1|N<3>,4|H<1>}	115.3020	0.000	1	115.3020	0.000	1	115.4985	0.077	2	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|N<3>,4|H<1>}	115.6950	0.000	1	115.6950	0.000	1	115.4985	0.077	2	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	N[4,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH)	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH){1|C<4>,1|N<3>,3|H<1>}	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC)	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC){1|C<3>,1|N<3>,3|H<1>}	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<3>,1|N<3>,2|H<1>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	120.2567	22.681	35	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:S-2:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	122.8640	0.068	2	122.8640	0.005	2	122.8640	0.005	2	122.8640	0.005	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:N-2:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(CC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(CC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	119.8495	0.336	2	119.8495	0.113	2	119.8495	0.113	2	119.7920	0.573	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	120.6270	0.000	1	119.7345	1.593	2	119.7345	1.593	2	119.7920	0.573	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	118.8420	0.000	1	119.7345	1.593	2	119.7345	1.593	2	119.7920	0.573	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:4:1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.3325	0.350	2	119.3325	0.123	2	119.3325	0.123	2	119.3325	0.123	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2830	0.076	2	122.2830	0.006	2	122.2830	0.006	2	122.2830	0.006	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,2|O<2>,5|C<3>}	121.1655	0.457	4	121.1655	0.209	4	121.1655	0.209	4	121.1655	0.209	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:2:2:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	118.4840	5.260	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,3|C<3>}	116.7250	0.000	1	117.1870	0.427	2	117.1870	0.427	2	118.4840	5.260	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,3|C<3>}	117.6490	0.000	1	117.1870	0.427	2	117.1870	0.427	2	118.4840	5.260	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	123.2000	0.095	4	123.2000	0.009	4	123.2000	0.009	4	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	120.2850	0.000	1	120.4935	0.087	2	120.4935	0.087	2	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	120.7020	0.000	1	120.4935	0.087	2	120.4935	0.087	2	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.3757	0.389	3	119.3757	0.151	3	120.3967	1.242	7	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	120.6280	0.173	2	121.1520	0.839	3	120.3967	1.242	7	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	122.2000	0.000	1	121.1520	0.839	3	120.3967	1.242	7	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	121.1940	0.000	1	121.1940	0.000	1	120.3967	1.242	7	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	121.6265	0.013	2	121.6265	0.000	2	121.6265	0.000	2	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	121.6730	0.000	1	121.6730	0.000	1	121.2340	0.385	2	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	120.7950	0.000	1	120.7950	0.000	1	121.2340	0.385	2	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	121.3380	0.000	1	121.2781	0.245	14	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	121.6568	0.330	4	121.2781	0.245	14	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	121.1227	0.532	8	121.2781	0.245	14	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	120.9470	0.000	1	121.2781	0.245	14	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	120.2480	0.314	2	120.3714	0.101	7	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	120.4990	0.000	1	120.3714	0.101	7	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	120.4013	0.391	4	120.3714	0.101	7	120.9759	0.382	21	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	122.8325	0.230	4	122.8325	0.053	4	122.8668	0.046	5	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH){1|C<4>,1|H<1>,2|C<3>}	123.0040	0.000	1	123.0040	0.000	1	122.8668	0.046	5	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	123.1080	0.080	3	122.9450	0.124	6	122.9450	0.124	6	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	122.9430	0.000	1	122.9450	0.124	6	122.9450	0.124	6	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	122.2500	0.000	1	122.9450	0.124	6	122.9450	0.124	6	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	123.1530	0.000	1	122.9450	0.124	6	122.9450	0.124	6	121.5262	1.381	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	125.1732	0.531	4	125.1732	0.282	4	125.1732	0.282	4	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	123.5470	0.000	1	123.5470	0.000	1	123.0984	0.384	8	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	124.2920	0.000	1	124.2920	0.000	1	123.0984	0.384	8	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	122.8247	0.351	6	122.8247	0.123	6	123.0984	0.384	8	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO){1|S<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.6510	0.000	1	121.6510	0.000	1	121.3480	0.650	5	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.7580	0.000	1	121.0597	0.972	3	121.3480	0.650	5	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.4890	0.000	1	121.0597	0.972	3	121.3480	0.650	5	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	119.9320	0.000	1	121.0597	0.972	3	121.3480	0.650	5	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.9100	0.000	1	121.9100	0.000	1	121.3480	0.650	5	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO){4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	122.5380	0.188	2	122.5380	0.035	2	121.7729	0.474	21	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.6924	0.673	19	121.6924	0.453	19	121.7729	0.474	21	122.2864	1.862	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,4|C<3>}	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:S-2:	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(S[6]C[6])(SC)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|H<1>,1|N<3>,2|C<3>}	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	121.2050	10.756	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	121.2050	10.756	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[5a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	121.7790	0.000	1	121.1005	0.921	2	121.1005	0.921	2	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	120.4220	0.000	1	121.1005	0.921	2	121.1005	0.921	2	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	119.1270	0.000	1	119.1270	0.000	1	117.9087	0.998	4	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6])(COO)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	117.1425	0.487	2	117.5027	0.508	3	117.9087	0.998	4	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6])(COO)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	118.2230	0.000	1	117.5027	0.508	3	117.9087	0.998	4	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	123.2356	0.727	7	123.2356	0.529	7	123.2356	0.529	7	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC){1|H<1>,5|C<3>}	121.2765	0.435	2	121.2765	0.189	2	121.2765	0.189	2	121.2347	4.996	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO){2|C<3>}	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	120.4350	0.000	1	120.4350	0.000	1	121.6025	2.726	2	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){2|C<3>}	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	122.7700	0.000	1	122.7700	0.000	1	121.6025	2.726	2	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	123.0470	0.000	1	123.0470	0.000	1	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	121.3040	1.209	2	121.3040	1.462	2	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	122.2800	0.000	1	122.2800	0.000	1	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	122.4550	0.000	1	122.4550	0.000	1	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	123.1372	0.288	5	123.1372	0.083	5	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	122.6830	0.000	1	122.6830	0.000	1	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	121.6000	0.000	1	121.6000	0.000	1	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CClHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CClHH){1|H<1>,1|N<3>,2|C<3>}	121.7700	0.000	1	121.7700	0.000	1	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	121.7963	0.225	3	121.7766	0.306	7	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	121.7600	0.000	1	121.7766	0.306	7	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<2>,2|C<3>}	122.6890	0.000	1	121.7766	0.306	7	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	120.8260	0.000	1	121.7766	0.306	7	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	121.7720	0.000	1	121.7766	0.306	7	122.2283	0.654	20	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	118.1385	0.226	2	118.1385	0.051	2	118.0070	0.947	4	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	119.0420	0.000	1	119.0420	0.000	1	118.0070	0.947	4	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6])(CF3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CF3){1|C<3>,1|H<1>,2|N<3>}	116.7090	0.000	1	116.7090	0.000	1	118.0070	0.947	4	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:4:	C[6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	124.3420	0.000	1	124.3420	0.000	1	124.3420	0.000	1	121.5915	3.201	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	115.3490	0.000	1	115.3490	0.000	1	115.3490	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,5|C<3>}	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	120.9582	0.406	10	120.9582	0.165	10	120.9582	0.165	10	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	119.7360	0.000	1	119.7360	0.000	1	119.7360	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	122.0855	0.214	2	122.0855	0.046	2	122.5857	0.217	7	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	122.1260	0.000	1	122.1260	0.000	1	122.5857	0.217	7	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	122.9250	0.021	2	122.9507	0.003	4	122.5857	0.217	7	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	122.9765	0.073	2	122.9507	0.003	4	122.5857	0.217	7	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	121.0990	0.000	1	120.9150	0.068	2	120.9150	0.068	2	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	120.7310	0.000	1	120.9150	0.068	2	120.9150	0.068	2	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.5330	0.000	1	119.8600	0.214	2	119.8600	0.214	2	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	120.1870	0.000	1	119.8600	0.214	2	119.8600	0.214	2	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO){1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>}	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)2(CCN)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)2(CCN)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	125.1105	0.094	2	125.1105	0.009	2	125.1105	0.009	2	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|N<3>}	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|H<1>,3|C<3>}	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:Ga-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ga<3>,2|H<1>,3|C<3>}	119.6035	0.367	2	119.6035	0.135	2	119.6035	0.135	2	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){2|H<1>,4|C<3>}	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.2468	5.090	34	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){2|C<3>,2|H<1>}	119.0660	0.000	1	119.0660	0.000	1	119.0660	0.000	1	122.1374	3.638	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH){1|H<1>,3|C<3>}	121.9550	0.000	1	121.9550	0.000	1	121.9550	0.000	1	122.1374	3.638	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6]){1|Br<1>,2|H<1>,6|C<3>}	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	122.1374	3.638	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(SC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(SC){1|H<1>,1|N<3>,2|C<3>}	124.1410	0.000	1	123.6425	0.497	2	123.6425	0.497	2	122.1374	3.638	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(SC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(SC){1|H<1>,1|N<3>,2|C<3>}	123.1440	0.000	1	123.6425	0.497	2	123.6425	0.497	2	122.1374	3.638	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	118.8415	0.050	2	118.8415	0.003	2	118.8415	0.003	2	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	117.1650	0.000	1	117.1650	0.000	1	118.6350	4.322	2	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	120.1050	0.000	1	120.1050	0.000	1	118.6350	4.322	2	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	121.3060	0.000	1	121.3060	0.000	1	121.3060	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){4|C<3>,4|H<1>}	115.5290	0.571	2	115.5290	0.326	2	119.5280	6.231	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	120.3990	0.000	1	120.3990	0.000	1	119.5280	6.231	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	120.8885	0.278	2	120.8885	0.077	2	119.5280	6.231	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	120.5800	0.000	1	120.9967	0.148	3	119.5280	6.231	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	121.2050	0.187	2	120.9967	0.148	3	119.5280	6.231	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	121.1840	1.161	4	120.9244	1.760	8	120.9244	1.760	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	120.6647	1.606	4	120.9244	1.760	8	120.9244	1.760	8	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	116.4950	0.000	1	116.4950	0.000	1	119.7202	5.808	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	119.7700	0.000	1	119.7700	0.000	1	119.7202	5.808	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	121.3080	1.406	2	121.3080	1.976	2	119.7202	5.808	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	119.8515	1.278	4	119.6836	1.365	5	119.6836	1.365	5	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	119.0120	0.000	1	119.6836	1.365	5	119.6836	1.365	5	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	122.2560	0.000	1	122.2560	0.000	1	122.2560	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H){1|C<4>,3|H<1>,6|C<3>}	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	119.8490	0.000	1	119.8490	0.000	1	121.3745	1.762	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	123.0120	0.000	1	121.8830	1.091	3	121.3745	1.762	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	121.6860	0.000	1	121.8830	1.091	3	121.3745	1.762	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	120.9510	0.000	1	121.8830	1.091	3	121.3745	1.762	4	120.1291	3.679	40	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	122.6920	0.000	1	122.6920	0.000	1	122.6920	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	122.5760	0.000	1	122.5760	0.000	1	123.0210	0.396	2	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	123.4660	0.000	1	123.4660	0.000	1	123.0210	0.396	2	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.4407	0.311	3	121.4407	0.097	3	121.4407	0.097	3	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	118.3460	0.581	2	118.3460	0.338	2	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	118.0385	1.227	4	118.0385	1.504	4	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.2875	0.063	2	121.2875	0.004	2	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.4934	0.572	14	119.5164	0.288	16	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.6780	0.010	2	119.5164	0.288	16	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.6350	0.000	1	120.6850	2.326	5	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.4475	1.651	4	120.6850	2.326	5	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	119.3245	0.004	2	119.4017	0.018	3	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.5560	0.000	1	119.4017	0.018	3	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.0725	0.087	2	120.0725	0.008	2	119.5723	1.323	34	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	121.0205	0.349	2	120.9747	0.067	3	120.2640	0.775	6	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.8830	0.000	1	120.9747	0.067	3	120.2640	0.775	6	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	120.1820	0.000	1	120.1820	0.000	1	120.2640	0.775	6	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.4830	0.000	1	119.4830	0.000	1	120.2640	0.775	6	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	118.9950	0.000	1	118.9950	0.000	1	120.2640	0.775	6	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.6080	0.000	1	122.6080	0.000	1	121.0723	0.529	17	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.5100	0.626	2	120.9763	0.398	16	121.0723	0.529	17	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.0778	0.777	4	120.9763	0.398	16	121.0723	0.529	17	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.8290	0.571	10	120.9763	0.398	16	121.0723	0.529	17	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.0983	0.493	3	121.0983	0.243	3	121.0983	0.243	3	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO){1|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.8750	0.000	1	123.8750	0.000	1	123.5730	0.182	2	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3){1|H<1>,2|O<1>,4|C<3>}	123.2710	0.000	1	123.2710	0.000	1	123.5730	0.182	2	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.6675	0.269	2	119.0816	0.244	10	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	118.6420	0.112	2	119.0816	0.244	10	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.0328	0.453	6	119.0816	0.244	10	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.6285	0.028	2	120.6285	0.001	2	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.4490	0.219	2	120.4490	0.048	2	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.2125	0.060	2	120.2125	0.004	2	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	121.1890	0.000	1	121.1890	0.000	1	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	121.5970	0.000	1	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	120.5250	0.000	1	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	120.5840	0.000	1	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.2655	0.628	22	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.0192	0.403	6	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.7275	0.086	2	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.4301	0.656	36	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.5644	0.737	64	120.9603	0.609	133	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	121.1235	0.602	2	121.1235	0.362	2	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	118.6765	0.343	2	118.6765	0.118	2	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.8860	0.000	1	121.8860	0.000	1	120.7987	0.828	155	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	122.4240	0.000	1	122.4240	0.000	1	121.1007	1.322	3	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	120.4390	0.134	2	120.4390	0.018	2	121.1007	1.322	3	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	118.2500	0.000	1	118.4560	0.085	2	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	118.6620	0.000	1	118.4560	0.085	2	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.4240	0.000	1	119.2931	0.557	7	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	119.1804	0.877	5	119.2931	0.557	7	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	119.7260	0.000	1	119.2931	0.557	7	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	120.5485	0.585	4	120.0224	1.641	5	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	117.9180	0.000	1	120.0224	1.641	5	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.9500	0.000	1	120.9500	0.000	1	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	121.2490	0.000	1	121.2490	0.000	1	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	117.6065	1.930	2	117.4113	1.976	3	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	117.0210	0.000	1	117.4113	1.976	3	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	117.3590	0.000	1	117.3590	0.000	1	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.0520	0.000	1	118.9725	0.013	2	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	118.8930	0.000	1	118.9725	0.013	2	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.7820	0.000	1	120.7820	0.000	1	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	120.0180	0.286	3	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	121.0320	0.000	1	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	121.0090	0.107	2	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.6626	1.319	27	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	121.2310	0.000	1	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	119.9670	0.653	17	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	119.3370	1.144	3	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	121.0770	0.209	2	119.9077	1.196	56	119.7142	1.465	79	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	112.3900	0.000	1	112.3900	0.000	1	112.3900	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	124.8080	0.000	1	124.8080	0.000	1	124.8080	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.2870	0.000	1	122.2870	0.000	1	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.4620	0.000	1	122.4620	0.000	1	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.9240	0.000	1	121.9240	0.000	1	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3710	0.000	1	123.4330	0.008	2	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4950	0.000	1	123.4330	0.008	2	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.5150	0.000	1	122.5150	0.000	1	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.3980	0.000	1	122.3060	0.017	2	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.2140	0.000	1	122.3060	0.017	2	122.5833	0.309	8	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	119.1305	0.681	2	119.1305	0.464	2	119.1305	0.464	2	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	124.8370	0.000	1	124.8370	0.000	1	124.8370	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.6800	0.000	1	125.6800	0.000	1	125.6800	0.000	1	120.5107	1.920	323	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:4:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.1550	0.180	2	123.1550	0.032	2	123.1550	0.032	2	123.1550	0.032	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	121.8155	2.556	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	121.8155	2.556	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	121.7930	0.000	1	121.7930	0.000	1	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	121.7913	1.429	6	121.7913	2.042	6	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	121.8090	0.926	3	121.8090	0.858	3	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	122.0900	0.000	1	121.6921	0.304	7	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	121.6258	0.573	6	121.6921	0.304	7	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	121.5770	0.000	1	121.4242	0.119	10	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	120.4760	0.000	1	121.4242	0.119	10	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	121.5236	0.103	8	121.4242	0.119	10	121.6317	0.598	27	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS){1|H<1>,1|N<3>,2|C<3>}	122.3320	0.000	1	122.3320	0.000	1	122.3320	0.000	1	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,1|N<3>}	120.0270	0.000	1	120.0270	0.000	1	120.4075	0.290	2	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH){1|H<1>,1|N<3>,3|C<3>}	120.7880	0.000	1	120.7880	0.000	1	120.4075	0.290	2	121.5413	0.673	31	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	118.5900	0.000	1	118.5900	0.000	1	118.5900	0.000	1	118.7770	5.735	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	123.7210	0.547	2	123.7210	0.300	2	123.7210	0.300	2	118.7770	5.735	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	118.7770	5.735	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	117.9761	1.336	10	117.9761	1.784	10	117.9761	1.784	10	118.7770	5.735	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	121.8080	0.000	1	121.8080	0.000	1	121.8080	0.000	1	121.8080	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|O<2>,7|C<3>}	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){1|C<4>,2|H<1>,4|C<3>}	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.4290	0.000	1	119.4290	0.000	1	121.0203	1.903	3	121.0203	1.903	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.7570	0.000	1	121.7570	0.000	1	121.0203	1.903	3	121.0203	1.903	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.8750	0.000	1	121.8750	0.000	1	121.0203	1.903	3	121.0203	1.903	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	122.4133	0.156	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	122.5785	0.385	2	122.5785	0.149	2	122.5785	0.149	2	122.4133	0.156	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.7445	0.433	4	122.7445	0.187	4	122.6628	0.174	5	122.6628	0.174	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	2:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.3360	0.000	1	122.3360	0.000	1	122.6628	0.174	5	122.6628	0.174	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	120.2560	7.442	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H){4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	120.2560	7.442	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)2(CCCH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.9940	0.000	1	121.9940	0.000	1	122.2455	0.127	2	122.2455	0.127	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.4970	0.000	1	122.4970	0.000	1	122.2455	0.127	2	122.2455	0.127	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.1115	0.131	2	119.1115	0.017	2	119.1115	0.017	2	119.3567	0.477	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.3567	0.477	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CCHH)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	119.3435	0.323	2	119.3435	0.104	2	119.7774	0.212	5	119.3567	0.477	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)2(CHOO)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CHOO)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	119.9555	0.200	2	119.9555	0.040	2	119.7774	0.212	5	119.3567	0.477	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	120.2890	0.000	1	120.2890	0.000	1	119.7774	0.212	5	119.3567	0.477	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	117.9820	0.000	1	117.9820	0.000	1	117.9820	0.000	1	119.3567	0.477	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	119.3495	1.231	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,3|C<2>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.1340	0.000	1	120.1340	0.000	1	120.1340	0.000	1	119.3495	1.231	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(CH3)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	118.7400	0.025	2	118.7400	0.001	2	119.5045	0.788	4	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(CH3)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	120.2690	0.164	2	120.2690	0.027	2	119.5045	0.788	4	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.7060	0.000	1	117.7060	0.000	1	119.4535	1.603	4	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.3370	0.000	1	119.3370	0.000	1	119.4535	1.603	4	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	120.3855	0.056	2	120.3855	0.003	2	119.4535	1.603	4	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	118.9700	0.000	1	118.9700	0.000	1	118.9700	0.000	1	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	119.4917	0.871	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.3570	0.000	1	123.3570	0.000	1	123.3570	0.000	1	121.9470	2.159	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.2730	0.161	2	122.2730	0.026	2	122.2730	0.026	2	121.9470	2.159	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	121.9470	2.159	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:4:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3){1|C<4>,3|C<3>,3|H<1>}	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1400	0.000	1	122.1400	0.000	1	122.3830	0.118	2	122.3830	0.118	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.6260	0.000	1	122.6260	0.000	1	122.3830	0.118	2	122.3830	0.118	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	122.5385	0.950	2	122.5385	0.902	2	122.5385	0.902	2	122.5385	0.902	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|N<3>}	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:2:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	120.0527	0.288	3	120.0527	0.083	3	120.0527	0.083	3	120.0527	0.083	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	120.7480	0.000	1	120.7480	0.000	1	120.0810	0.890	2	119.8647	0.585	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,6|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	119.4140	0.000	1	119.4140	0.000	1	120.0810	0.890	2	119.8647	0.585	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	119.8647	0.585	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]C)2(CH3)2	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC){3|C<3>}	C[6](C[6]C[6]C)2(CH3)2{3|C<3>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	112.7375	0.237	2	112.7375	0.056	2	117.7797	33.921	4	117.7797	33.921	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:4:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)2(CH3)2	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]C)2(CH3)2{3|C<3>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	122.8220	0.099	2	122.8220	0.010	2	117.7797	33.921	4	117.7797	33.921	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|H<1>,2|C<4>}	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	120.1630	0.000	1	120.1630	0.000	1	120.1630	0.000	1	114.6010	22.102	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2){2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7375	0.911	2	110.7375	0.831	2	110.7375	0.831	2	114.6010	22.102	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	114.6010	22.102	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO){1|H<1>,2|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)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	119.8330	0.346	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	119.8330	0.346	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	113.6150	0.310	2	113.6150	0.096	2	113.6150	0.096	2	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH){1|C<2>,1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,3|H<1>}	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N){1|C<4>,1|H<1>,2|C<3>}	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	118.2260	0.000	1	118.2260	0.000	1	117.7410	0.470	2	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	117.2560	0.000	1	117.2560	0.000	1	117.7410	0.470	2	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1720	0.000	1	121.1720	0.000	1	121.1625	0.000	2	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1530	0.000	1	121.1530	0.000	1	121.1625	0.000	2	117.9403	8.136	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,2|C<4>}	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.7248	0.533	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|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<1>,3|C<3>,3|H<1>}	120.7150	0.000	1	119.8655	1.443	2	119.8992	0.508	4	119.7248	0.533	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|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<1>,3|C<3>,3|H<1>}	119.0160	0.000	1	119.8655	1.443	2	119.8992	0.508	4	119.7248	0.533	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.7380	0.000	1	119.7380	0.000	1	119.8992	0.508	4	119.7248	0.533	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|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<1>,3|C<3>,3|H<1>}	120.1280	0.000	1	120.1280	0.000	1	119.8992	0.508	4	119.7248	0.533	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	120.2450	0.733	2	120.2450	0.537	2	120.2450	0.537	2	119.8145	1.627	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	119.8145	1.627	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.8145	1.627	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	119.8145	1.627	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	119.8145	1.627	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	121.1665	0.182	2	121.1665	0.033	2	120.9227	0.113	4	120.9227	0.113	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	120.8650	0.000	1	120.8650	0.000	1	120.9227	0.113	4	120.9227	0.113	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.4930	0.000	1	120.4930	0.000	1	120.9227	0.113	4	120.9227	0.113	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	122.6085	8.599	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:Si-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|Si<3>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.5350	0.000	1	120.5350	0.000	1	120.5350	0.000	1	122.6085	8.599	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.5360	0.130	2	122.5360	0.017	2	122.5360	0.017	2	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.4180	0.000	2	123.4180	0.000	2	123.4180	0.000	2	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.0120	0.000	1	122.0120	0.000	1	123.5666	0.542	8	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.6080	0.000	1	123.6080	0.000	1	123.5666	0.542	8	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	124.2950	0.000	1	124.2950	0.000	1	123.5666	0.542	8	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.7236	0.424	5	123.7236	0.180	5	123.5666	0.542	8	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	117.2540	0.000	1	117.2540	0.000	1	117.2540	0.000	1	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,3|H<1>}	125.8530	0.000	1	125.8530	0.000	1	125.8530	0.000	1	122.8528	4.255	16	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	121.9930	0.000	1	121.9930	0.000	1	122.5204	0.357	5	122.5204	0.357	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	123.1550	0.000	1	123.1550	0.000	1	122.5204	0.357	5	122.5204	0.357	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	122.8285	0.185	2	122.8285	0.034	2	122.5204	0.357	5	122.5204	0.357	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	121.7970	0.000	1	121.7970	0.000	1	122.5204	0.357	5	122.5204	0.357	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.6370	0.000	1	119.6370	0.000	1	121.5863	2.928	3	121.5863	2.928	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.8410	0.000	1	122.8410	0.000	1	121.5863	2.928	3	121.5863	2.928	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2810	0.000	1	122.2810	0.000	1	121.5863	2.928	3	121.5863	2.928	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	122.3360	0.000	1	122.3360	0.000	1	122.9095	0.658	2	122.9095	0.658	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	123.4830	0.000	1	123.4830	0.000	1	122.9095	0.658	2	122.9095	0.658	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:2:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:2:	3:3:2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:Si[6]-4:C[6a]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC)	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC){1|Si<4>,1|O<2>,3|C<3>}	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:2:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	121.8200	0.000	1	121.8200	0.000	1	120.5127	0.559	7	120.5127	0.559	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:3:2:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	120.2948	0.522	6	120.2948	0.272	6	120.5127	0.559	7	120.5127	0.559	7	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	3:4:4:1:	3:4:4:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:2:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[5]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0960	0.000	1	123.0960	0.000	1	123.0960	0.000	1	123.0960	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	118.8240	1.018	2	118.8240	1.037	2	118.5883	0.685	3	118.5883	0.685	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	118.1170	0.000	1	118.1170	0.000	1	118.5883	0.685	3	118.5883	0.685	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,4|H<1>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:S[6]-2:S-2:	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(S[6]C[6])(SC)	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|S<2>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){2|H<1>,3|C<4>}	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,4|H<1>}	121.5300	0.000	1	121.5300	0.000	1	120.3840	1.087	3	120.3840	1.087	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	119.8110	0.451	2	119.8110	0.204	2	120.3840	1.087	3	120.3840	1.087	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH){2|C<3>,2|S<2>}	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	115.8365	0.551	2	115.8365	0.303	2	115.8365	0.303	2	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	116.1960	0.308	2	116.1960	0.095	2	116.0102	0.121	4	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,2|N<3>,3|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	115.8245	0.359	2	115.8245	0.129	2	116.0102	0.121	4	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO){1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	122.0300	0.310	3	122.0300	0.096	3	122.0300	0.096	3	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	117.5195	1.409	4	117.5195	1.984	4	117.4155	3.448	12	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	117.3635	2.135	8	117.3635	4.559	8	117.4155	3.448	12	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	117.7734	0.824	30	117.7734	0.679	30	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	117.8840	0.000	1	117.8840	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	119.4270	0.000	1	119.4270	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.1460	0.000	1	120.4960	0.362	3	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.1710	0.301	2	120.4960	0.362	3	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	120.4595	0.520	30	120.4595	0.271	30	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	119.8430	0.000	1	119.8430	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	118.9190	2.110	4	118.9190	4.452	4	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.8740	0.000	1	120.8740	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	117.9935	0.049	2	117.9935	0.002	2	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	114.9070	0.000	1	114.9070	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	118.2700	0.000	1	118.2700	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,3|H<1>}	122.6380	0.000	1	122.6380	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	118.9740	0.000	1	118.9740	0.000	1	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	122.6545	0.156	2	122.6545	0.024	2	119.2185	2.802	79	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	120.0493	1.769	3	120.0493	3.129	3	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	118.9610	0.809	2	118.9610	0.654	2	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	119.3144	1.575	10	119.3144	2.481	10	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	118.7485	0.743	2	118.7485	0.552	2	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	117.8437	0.583	3	117.8437	0.340	3	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	118.2403	0.138	4	118.2403	0.019	4	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	118.3234	0.671	83	118.3234	0.450	83	118.4677	0.810	107	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(S)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]C)2(S){1|C<4>,4|H<1>}	119.1463	0.410	3	119.1463	0.168	3	119.1463	0.168	3	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	119.7705	1.126	2	119.7705	1.269	2	119.7705	1.269	2	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	119.3585	1.109	2	119.3585	1.231	2	119.1755	0.423	12	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	119.6865	0.412	4	119.6865	0.169	4	119.1755	0.423	12	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	118.6365	0.303	4	118.6365	0.092	4	119.1755	0.423	12	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	119.0485	0.576	2	119.0485	0.332	2	119.1755	0.423	12	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(Br){1|C<4>,4|H<1>}	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.5283	0.527	3	120.5283	0.278	3	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	120.8010	0.000	1	120.8010	0.000	1	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.7410	0.000	1	120.7410	0.000	1	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	122.4840	0.000	1	122.4840	0.000	1	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	119.1610	0.143	2	119.1610	0.020	2	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.5380	0.460	4	121.5380	0.212	4	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.9220	0.185	2	120.9220	0.034	2	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.2077	0.590	10	121.2077	0.349	10	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	121.1840	0.000	1	121.1840	0.000	1	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	120.6540	0.000	1	120.6348	0.187	5	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.6300	0.499	4	120.6348	0.187	5	120.9455	0.589	30	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(I){1|C<4>,4|H<1>}	119.0800	0.000	1	119.0800	0.000	1	119.0800	0.000	1	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	120.6820	0.000	1	120.6820	0.000	1	119.2158	0.643	6	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	118.7990	0.507	3	118.7990	0.257	3	119.2158	0.643	6	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]N[5,6]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	119.1080	0.074	2	119.1080	0.005	2	119.2158	0.643	6	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	118.5760	0.000	1	118.5760	0.000	1	118.2990	0.164	3	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	117.8340	0.000	1	117.8340	0.000	1	118.2990	0.164	3	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2{1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	118.4870	0.000	1	118.4870	0.000	1	118.2990	0.164	3	118.9565	2.449	269	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,3|H<1>}	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	119.5874	1.790	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NO){1|C<4>,4|H<1>}	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5874	1.790	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(OC){1|C<4>,4|H<1>}	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	119.5874	1.790	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6])	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6]){1|C<4>,4|H<1>}	119.8210	0.305	2	119.8210	0.093	2	119.8210	0.093	2	119.5874	1.790	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	119.6529	13.166	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|S<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	115.2120	0.000	1	115.2120	0.000	1	114.7160	13.596	4	119.6529	13.166	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2{5|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	109.3620	0.000	1	109.3620	0.000	1	114.7160	13.596	4	119.6529	13.166	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]O)(COO){1|C<4>,2|H<1>}	117.1450	0.276	2	117.1450	0.076	2	114.7160	13.596	4	119.6529	13.166	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	123.8510	0.000	1	123.8510	0.000	1	121.5724	0.989	10	119.6529	13.166	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	121.3192	0.625	9	121.3192	0.391	9	121.5724	0.989	10	119.6529	13.166	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	119.8485	3.293	2	119.8485	10.844	2	119.8485	10.844	2	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	117.4250	0.000	1	117.4250	0.000	1	119.9580	8.663	3	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	123.1870	0.000	1	123.1870	0.000	1	119.9580	8.663	3	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	119.2620	0.000	1	119.2620	0.000	1	119.9580	8.663	3	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.1180	0.246	2	119.1180	0.061	2	119.1180	0.061	2	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	122.8650	0.109	2	122.8650	0.012	2	122.8650	0.012	2	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	121.6300	0.812	2	121.6300	0.659	2	121.5860	0.394	6	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	121.3880	1.073	2	121.3880	1.152	2	121.5860	0.394	6	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	121.8630	0.000	1	121.8630	0.000	1	121.5860	0.394	6	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	121.6170	0.000	1	121.6170	0.000	1	121.5860	0.394	6	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.6124	4.422	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[5a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	117.2200	0.000	1	117.2200	0.000	1	117.2200	0.000	1	118.3380	2.690	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	118.3380	2.690	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	120.2210	0.000	1	120.2210	0.000	1	120.2210	0.000	1	118.3380	2.690	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6]){1|C<4>,4|H<1>}	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO){1|C<4>,3|C<3>,3|H<1>}	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.4495	0.107	2	120.4495	0.011	2	120.4495	0.011	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	117.5570	0.575	4	117.5570	0.331	4	117.2473	0.560	16	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	118.2525	0.148	2	118.2525	0.022	2	117.2473	0.560	16	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	116.7983	1.097	3	116.7983	1.202	3	117.2473	0.560	16	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	116.9756	0.493	7	116.9756	0.243	7	117.2473	0.560	16	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.7600	0.000	1	122.7600	0.000	1	121.0042	3.798	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.2325	0.405	2	122.2325	0.164	2	121.0042	3.798	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	118.7340	0.000	1	118.7340	0.000	1	121.0042	3.798	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	119.0620	0.000	1	119.0620	0.000	1	121.0042	3.798	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|N<3>,4|H<1>}	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl){2|C<4>,3|H<1>}	120.2675	0.716	2	120.2675	0.513	2	120.2675	0.513	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	114.4570	0.000	1	114.4570	0.000	1	114.4570	0.000	1	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.3663	0.569	3	121.3663	0.324	3	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.5753	0.906	3	121.5753	0.821	3	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.1360	0.000	1	122.1360	0.000	1	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	121.7840	0.000	1	121.7840	0.000	1	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	124.2580	0.000	1	124.2580	0.000	1	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.9250	0.061	2	121.9250	0.004	2	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.3275	1.032	2	122.3275	1.064	2	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.8435	0.576	2	122.8435	0.332	2	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	122.0055	0.296	2	122.0055	0.088	2	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.5240	0.000	1	122.5825	0.007	2	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.6410	0.000	1	122.5825	0.007	2	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|Br<1>,1|C<4>,3|H<1>}	124.1200	0.000	1	124.1200	0.000	1	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	122.2790	1.149	4	122.2790	1.320	4	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	122.3620	0.000	1	122.3620	0.000	1	122.2535	0.825	26	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	118.9700	0.000	1	118.9700	0.000	1	117.5996	4.660	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	118.5870	0.000	1	118.4790	0.023	2	117.5996	4.660	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	118.3710	0.000	1	118.4790	0.023	2	117.5996	4.660	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	118.3040	0.000	1	118.3040	0.000	1	117.5996	4.660	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	113.7660	0.000	1	113.7660	0.000	1	117.5996	4.660	5	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	N[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO)	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO){2|C<4>,3|H<1>}	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<4>,3|H<1>}	122.9250	0.000	1	122.9250	0.000	1	122.9250	0.000	1	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,6|C<3>}	120.1540	0.000	1	120.1540	0.000	1	119.7555	0.318	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	119.3570	0.000	1	119.3570	0.000	1	119.7555	0.318	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6,6]O[6,6]C[3]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]O[6,6]C[3]C[6])(C[6]C[6a]C[6])(H){3|C<3>,3|C<4>,5|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.6925	0.006	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	118.6390	0.000	1	118.6390	0.000	1	118.6925	0.006	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	123.0590	0.000	1	123.0590	0.000	1	122.8835	0.062	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7080	0.000	1	122.7080	0.000	1	122.8835	0.062	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,4|H<1>}	123.0470	0.000	1	123.0470	0.000	1	124.4110	3.721	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	125.7750	0.000	1	125.7750	0.000	1	124.4110	3.721	2	120.3232	6.763	70	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,6|H<1>}	122.8045	0.612	2	122.8045	0.374	2	122.8045	0.374	2	121.6342	1.421	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	121.8640	0.049	2	121.8640	0.002	2	121.9290	0.015	4	121.6342	1.421	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	122.1050	0.000	1	122.1050	0.000	1	121.9290	0.015	4	121.6342	1.421	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	121.8830	0.000	1	121.8830	0.000	1	121.9290	0.015	4	121.6342	1.421	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd){1|C<4>,4|H<1>}	119.8745	0.499	2	119.8745	0.249	2	119.8745	0.249	2	121.6342	1.421	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H){1|C<3>,1|C<4>,2|H<1>}	113.8980	0.000	1	113.8980	0.000	1	113.8980	0.000	1	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	121.5275	0.482	2	121.5275	0.232	2	120.4200	6.129	8	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,3|H<1>}	118.2620	0.258	4	118.2620	0.067	4	120.4200	6.129	8	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO){1|C<4>,1|O<2>,3|H<1>}	123.6285	0.896	2	123.6285	0.803	2	120.4200	6.129	8	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){2|Br<1>,2|C<4>,4|H<1>}	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH){2|C<4>,2|H<1>}	112.6960	0.000	1	112.6960	0.000	1	112.6960	0.000	1	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	115.0880	0.000	1	115.0880	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]Te)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]Te)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]Te){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]Te){1|C<4>,4|H<1>}	120.5670	0.449	3	120.5670	0.201	3	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5a]Te)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5a]Te)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5a]Te){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5a]Te){1|C<4>,4|H<1>}	120.6667	0.236	4	120.6667	0.056	4	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	114.0342	0.661	9	114.0342	0.437	9	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]Sn)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]Sn)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]Sn){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]Sn){1|C<4>,4|H<1>}	119.2670	0.000	1	119.2670	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	111.9170	0.000	1	111.9170	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C){1|C<4>,4|H<1>}	121.9615	0.658	4	121.9615	0.433	4	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	113.9740	0.000	1	113.9740	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<4>,4|H<1>}	122.6270	0.000	1	122.6270	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	114.5582	0.902	9	114.5582	0.813	9	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H){1|C<4>,4|H<1>}	113.8410	0.000	1	113.8410	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	113.6120	0.000	1	113.6120	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	114.3380	0.000	1	114.3380	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	112.6170	0.000	1	112.6170	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	114.1990	0.000	1	114.1990	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	112.5040	0.000	1	112.5040	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	111.8370	0.000	1	111.8370	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O){1|C<4>,4|H<1>}	122.8790	0.000	1	122.8790	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH){1|C<4>,4|H<1>}	126.0310	0.000	1	126.0310	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CTeB)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CTeB)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CTeB){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CTeB){1|C<4>,4|H<1>}	120.7340	0.000	1	120.7340	0.000	1	116.7048	14.867	44	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	120.3810	0.000	1	120.3810	0.000	1	121.2515	0.735	6	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	120.5790	0.412	2	120.5790	0.169	2	121.2515	0.735	6	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	121.6980	0.000	1	121.6980	0.000	1	121.2515	0.735	6	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	122.3350	0.000	1	122.3350	0.000	1	121.2515	0.735	6	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	121.9370	0.000	1	121.9370	0.000	1	121.2515	0.735	6	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	Si[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Si<4>,1|C<3>,2|H<1>}	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	124.8650	0.000	1	124.8650	0.000	1	124.8650	0.000	1	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO){1|C<4>,3|C<3>,3|H<1>}	121.8510	0.000	1	121.8510	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>,3|H<1>}	121.1980	0.000	1	121.1980	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,1|O<2>,3|H<1>}	121.3440	0.000	1	121.3440	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,2|C<3>,4|H<1>}	121.3560	0.000	1	121.3560	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	121.9010	0.000	1	121.9010	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	122.1110	0.000	1	122.1110	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O){1|C<4>,4|H<1>}	121.9950	0.000	1	121.9950	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	121.0070	0.000	1	121.0070	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	116.0907	0.829	10	116.0907	0.687	10	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	116.9650	0.000	1	116.9650	0.000	1	118.4545	8.022	19	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCdO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCdO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCdO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCdO){1|C<4>,4|H<1>}	120.4045	1.559	2	120.4045	2.431	2	121.8996	1.753	33	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCuO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCuO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCuO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCuO){1|C<4>,4|H<1>}	120.9645	0.040	2	120.9645	0.002	2	121.8996	1.753	33	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NFeO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NFeO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NFeO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NFeO){1|C<4>,4|H<1>}	122.2532	1.221	26	122.2532	1.491	26	121.8996	1.753	33	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnN){1|C<4>,4|H<1>}	120.3455	0.757	2	120.3455	0.574	2	121.8996	1.753	33	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnO){1|C<4>,4|H<1>}	120.6750	0.000	1	120.6750	0.000	1	121.8996	1.753	33	119.0712	13.671	115	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0130	0.395	2	121.0130	0.156	2	122.1599	1.758	8	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	120.6600	0.000	1	120.6600	0.000	1	122.1599	1.758	8	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	123.0045	0.091	2	123.0045	0.008	2	122.1599	1.758	8	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|O<2>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	124.2940	0.000	1	124.2940	0.000	1	122.1599	1.758	8	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	122.9450	0.000	1	122.9450	0.000	1	122.1599	1.758	8	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH){1|C<4>,4|H<1>}	121.3450	0.000	1	121.3450	0.000	1	122.1599	1.758	8	121.9474	1.944	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO){1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,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>}	121.3740	0.000	1	121.3740	0.000	1	121.2990	0.011	2	121.2990	0.011	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,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>}	121.2240	0.000	1	121.2240	0.000	1	121.2990	0.011	2	121.2990	0.011	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CNO)	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CNO){1|O<2>,2|C<4>,2|H<1>}	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	117.5692	18.716	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	117.5692	18.716	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|O<2>,2|C<4>}	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	117.5692	18.716	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:S-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>}	120.7660	1.123	2	120.7660	1.261	2	120.7660	1.261	2	117.5692	18.716	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>}	122.9470	0.000	1	122.9470	0.000	1	122.9470	0.000	1	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.8151	1.873	7	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	119.6530	0.000	1	119.6530	0.000	1	121.8151	1.873	7	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	121.5335	1.667	2	121.5335	2.778	2	121.8151	1.873	7	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	123.3500	0.000	1	123.3500	0.000	1	121.8151	1.873	7	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	122.7290	0.000	1	122.7290	0.000	1	121.8151	1.873	7	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	122.3980	0.000	1	122.3980	0.000	1	121.8151	1.873	7	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(I){1|O<2>,2|C<4>,2|H<1>}	120.5580	0.000	1	120.5580	0.000	1	120.6245	0.009	2	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(I)	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(I){1|C<4>,1|O<2>,3|H<1>}	120.6910	0.000	1	120.6910	0.000	1	120.6245	0.009	2	121.6902	1.689	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	121.0950	0.000	1	121.1565	0.008	2	121.1565	0.008	2	121.7603	1.098	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|C<4>,2|H<1>,2|O<2>}	121.2180	0.000	1	121.1565	0.008	2	121.1565	0.008	2	121.7603	1.098	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	121.7603	1.098	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CC)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CC)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2{1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2{1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	117.1615	0.897	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[6,6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	117.4800	0.000	1	117.4800	0.000	1	117.0260	0.155	3	117.1615	0.897	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[6,6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN){2|C<2>,2|C<3>,2|C<4>}	116.7990	0.000	2	116.7990	0.000	2	117.0260	0.155	3	117.1615	0.897	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	116.9090	0.000	1	116.9090	0.000	1	116.5070	0.323	2	117.1615	0.897	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	116.1050	0.000	1	116.1050	0.000	1	116.5070	0.323	2	117.1615	0.897	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-2:C-2:	N[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]CC)(C[6]N[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CC)(C[6]N[5,6]C)(COO){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2{1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	120.9740	0.000	1	120.9740	0.000	1	120.9740	0.000	1	120.9740	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	4:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN){1|C<4>,1|S<2>,2|C<2>,3|C<3>}	119.9000	0.170	2	119.9000	0.029	2	120.0697	0.069	4	120.0697	0.069	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:2:2:	4:3:2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	120.2395	0.251	2	120.2395	0.063	2	120.0697	0.069	4	120.0697	0.069	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	2:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|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>}	124.4430	0.000	1	124.4430	0.000	1	124.4430	0.000	1	124.4430	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	117.9180	0.144	2	117.9180	0.021	2	117.9180	0.021	2	118.8560	2.650	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HN)(C[6]O[6]H)(COO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|N<3>,2|C<4>,2|H<1>}	120.7320	0.000	1	120.7320	0.000	1	120.7320	0.000	1	118.8560	2.650	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]C)(O[6]B[6])(OC)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP){1|B<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6]C)(O[6]B[6])(OC){1|C<4>,1|H<1>,3|C<3>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:S[6]-2:C-3:	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	C[6](C[6]C[6]C)(S[6]C[6])(COO)	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(COO){1|C<4>,1|N<3>,3|H<1>}	126.3070	0.000	1	126.3070	0.000	1	126.3070	0.000	1	126.3070	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	120.4646	3.590	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.7443	0.713	3	122.7443	0.508	3	122.1288	2.431	5	120.4646	3.590	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.9180	0.000	1	122.9180	0.000	1	122.1288	2.431	5	120.4646	3.590	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO){2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.4930	0.000	1	119.4930	0.000	1	122.1288	2.431	5	120.4646	3.590	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	119.1630	0.000	1	119.0470	0.191	5	119.0470	0.191	5	120.4646	3.590	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	119.0180	0.499	4	119.0470	0.191	5	119.0470	0.191	5	120.4646	3.590	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	N[3x6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	121.1746	3.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	122.9410	0.000	1	122.9410	0.000	1	122.9410	0.000	1	121.1746	3.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	119.1945	0.647	2	119.1945	0.419	2	119.1945	0.419	2	121.1746	3.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO){1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	121.1746	3.452	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	119.2570	0.508	2	119.2570	0.258	2	119.2570	0.258	2	120.4228	1.994	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	120.2090	0.000	1	120.2090	0.000	1	120.4890	0.157	2	120.4228	1.994	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	120.7690	0.000	1	120.7690	0.000	1	120.4890	0.157	2	120.4228	1.994	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	120.4228	1.994	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.7380	0.486	2	121.7380	0.237	2	121.7380	0.237	2	121.7380	0.237	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.8390	0.563	5	123.8390	0.317	5	123.8390	0.317	5	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.1180	0.000	1	121.1180	0.000	1	123.3400	1.602	7	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.3995	0.921	4	123.3995	0.848	4	123.3400	1.602	7	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	124.3320	0.382	2	124.3320	0.146	2	123.3400	1.602	7	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	123.1290	0.660	2	122.7782	0.336	4	122.6712	0.309	5	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.4275	0.282	2	122.7782	0.336	4	122.6712	0.309	5	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.2430	0.000	1	122.2430	0.000	1	122.6712	0.309	5	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){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)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	122.4730	0.000	1	122.4730	0.000	1	123.0125	0.582	2	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.5520	0.000	1	123.5520	0.000	1	123.0125	0.582	2	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	123.0840	0.000	1	123.0840	0.000	1	123.5290	0.396	2	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.9740	0.000	1	123.9740	0.000	1	123.5290	0.396	2	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	123.1210	0.000	1	123.1210	0.000	1	121.8045	3.466	2	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.4880	0.000	1	120.4880	0.000	1	121.8045	3.466	2	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	125.1660	0.000	1	125.1660	0.000	1	125.1660	0.000	1	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.0750	0.000	1	124.0883	0.226	3	124.0883	0.226	3	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	123.6200	0.000	1	124.0883	0.226	3	124.0883	0.226	3	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.5700	0.000	1	124.0883	0.226	3	124.0883	0.226	3	123.1441	2.154	28	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	120.9480	0.000	1	120.9480	0.000	1	121.2165	0.144	2	121.6897	0.468	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	121.4850	0.000	1	121.4850	0.000	1	121.2165	0.144	2	121.6897	0.468	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	121.6897	0.468	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO){1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4920	0.279	2	121.4920	0.078	2	121.4920	0.078	2	121.6897	0.468	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH){1|C<3>,3|C<4>,4|H<1>}	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.6897	0.468	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	122.6745	0.712	2	122.6745	0.507	2	122.6745	0.507	2	122.6745	0.507	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	121.0235	8.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.0235	8.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	121.0235	8.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	122.0340	0.000	1	122.0340	0.000	1	122.0340	0.000	1	121.0235	8.208	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:3:2:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.7685	0.380	2	121.7685	0.144	2	121.7685	0.144	2	121.7685	0.144	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO){3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|H<1>,3|C<4>}	121.7355	0.078	2	121.7355	0.006	2	121.7355	0.006	2	120.2453	6.665	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[5,6])(C[6]C[6]C)(O){1|H<1>,4|C<4>}	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	120.2453	6.665	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	121.0595	0.375	2	121.0595	0.141	2	121.3330	0.295	3	120.2142	5.203	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	121.8800	0.000	1	121.8800	0.000	1	121.3330	0.295	3	120.2142	5.203	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|H<1>,3|C<4>}	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	120.2142	5.203	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	121.1975	15.429	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	123.9750	0.000	1	123.9750	0.000	1	123.9750	0.000	1	121.1975	15.429	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|H<1>}	119.0330	0.000	1	119.0330	0.000	1	119.0330	0.000	1	119.0330	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-3:N[6]-3:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,4|C<4>,9|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){3|H<1>,4|C<4>}	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	122.3760	0.000	1	122.3760	0.000	1	122.3760	0.000	1	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	122.3210	0.000	1	121.3843	0.658	3	121.3843	0.658	3	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.9160	0.000	2	121.3843	0.658	3	121.3843	0.658	3	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	117.2460	0.000	1	117.2460	0.000	1	117.2460	0.000	1	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	121.2389	3.178	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	124.1990	0.000	1	124.1990	0.000	1	123.5187	1.107	4	123.5187	1.107	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	122.2020	0.000	1	122.2020	0.000	1	123.5187	1.107	4	123.5187	1.107	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	123.8370	0.960	2	123.8370	0.922	2	123.5187	1.107	4	123.5187	1.107	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	122.6130	0.000	1	122.6130	0.000	1	122.6130	0.000	1	115.5907	37.436	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|O<2>}	112.0795	0.950	2	112.0795	0.902	2	112.0795	0.902	2	115.5907	37.436	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	2:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH)	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH){1|O<2>,4|C<4>}	122.5095	0.237	2	122.5095	0.056	2	122.5095	0.056	2	122.5095	0.056	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	121.8630	0.000	1	121.8630	0.000	1	123.4470	5.018	2	123.4470	5.018	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	125.0310	0.000	1	125.0310	0.000	1	123.4470	5.018	2	123.4470	5.018	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC){2|H<1>,3|C<4>}	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]C)(CH3)2{2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	123.1905	1.236	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.7410	0.477	7	122.7410	0.228	7	122.9573	0.642	11	123.1905	1.236	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){2|H<1>,3|C<4>}	125.0490	0.000	1	125.0490	0.000	1	122.9573	0.642	11	123.1905	1.236	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.8140	0.000	1	122.8140	0.000	1	122.9573	0.642	11	123.1905	1.236	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH){2|H<1>,3|C<4>}	122.7400	0.485	2	122.7400	0.235	2	122.9573	0.642	11	123.1905	1.236	12	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	121.5115	0.274	2	121.5115	0.075	2	121.5115	0.075	2	119.9510	7.343	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:Si-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|Si<4>,2|C<4>,2|H<1>}	116.8300	0.000	1	116.8300	0.000	1	116.8300	0.000	1	119.9510	7.343	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	122.1980	0.000	1	122.1980	0.000	1	121.3555	1.420	2	121.0083	1.071	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<4>,3|H<1>}	120.5130	0.000	1	120.5130	0.000	1	121.3555	1.420	2	121.0083	1.071	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	121.0083	1.071	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:3:	4:4:3:2:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	2:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>}	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>}	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|H<1>}	121.4420	0.000	1	121.4420	0.000	1	120.2510	2.837	2	121.7290	7.972	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]O[6])(H)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(O[6]O[6])(H)2{1|C<4>,1|H<1>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(H){1|O<2>,2|H<1>}	119.0600	0.000	1	119.0600	0.000	1	120.2510	2.837	2	121.7290	7.972	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(S[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|S<2>}	124.6850	0.000	1	124.6850	0.000	1	124.6850	0.000	1	121.7290	7.972	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|H<1>}	120.5710	0.000	1	120.5710	0.000	1	120.7195	0.044	2	120.7452	2.656	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]N[6])(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]N[6])(H)2{1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	120.8680	0.000	1	120.8680	0.000	1	120.7195	0.044	2	120.7452	2.656	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,2|C<4>,2|H<1>}	122.7610	0.000	1	122.7610	0.000	1	120.7710	7.920	2	120.7452	2.656	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(S[6]P[6])(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|H<1>}	C[6](C[6]C[6]C)(S[6]P[6])(H)2{1|C<3>,1|W<6>,2|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<2>,1|W<6>,2|H<1>}	118.7810	0.000	1	118.7810	0.000	1	120.7710	7.920	2	120.7452	2.656	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:2:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<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>}	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:3:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|O<2>,2|H<1>,3|C<3>}	118.6190	0.000	1	118.6190	0.000	1	118.6190	0.000	1	118.6190	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:3:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	116.3640	0.272	2	116.3640	0.074	2	116.3640	0.074	2	116.3640	0.074	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:3:2:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,2|O<2>,3|C<3>}	121.1175	0.688	2	120.6470	0.460	4	120.6470	0.460	4	120.6470	0.460	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:3:2:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,2|O<2>,3|C<3>}	120.1765	0.144	2	120.6470	0.460	4	120.6470	0.460	4	120.6470	0.460	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:2:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	114.1017	0.196	3	114.1017	0.038	3	114.1017	0.038	3	114.1017	0.038	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	C[6](C[6]C[6]S)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(O[6]C[6])(CH3){1|C<3>,3|H<1>}	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	119.8090	0.000	1	119.8090	0.000	1	119.8090	0.000	1	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	117.9440	0.000	1	117.9440	0.000	1	118.7643	0.334	4	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|H<1>}	118.9520	0.000	1	118.9520	0.000	1	118.7643	0.334	4	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	119.2960	0.000	1	119.2960	0.000	1	118.7643	0.334	4	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	118.8650	0.000	1	118.8650	0.000	1	118.7643	0.334	4	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	121.8910	0.044	2	121.8910	0.002	2	121.8910	0.002	2	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H)2	C[6](N[6]C[6]Al)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Al<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	120.9922	0.222	4	120.9922	0.049	4	121.0295	0.034	6	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	121.1040	0.075	2	121.1040	0.006	2	121.0295	0.034	6	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<4>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,2|H<1>}	118.4750	0.000	1	118.4750	0.000	1	117.5875	1.575	2	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	116.7000	0.000	1	116.7000	0.000	1	117.5875	1.575	2	120.0000	2.432	15	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3){1|C<4>,1|O<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.1950	0.000	1	121.1950	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	121.0060	0.771	3	121.0060	0.594	3	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	122.2720	0.000	1	122.2720	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	120.3700	0.000	1	120.3700	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.5960	0.000	1	121.5960	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.1500	0.000	1	121.1500	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.7720	0.000	1	118.7720	0.000	1	121.1000	1.237	10	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	115.7355	2.785	2	115.7355	7.758	2	115.7355	7.758	2	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	120.5971	6.317	14	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC){1|N<3>,2|H<1>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	122.8028	1.300	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|H<1>}	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	122.8028	1.300	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	123.2496	0.352	7	123.2496	0.124	7	123.2496	0.124	7	122.8028	1.300	9	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	As[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3)	C[6](As[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	C[6](As[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|As<3>,1|C<4>,1|W<6>,2|H<1>}	119.8125	0.187	2	119.8125	0.035	2	119.8125	0.035	2	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	123.8650	0.095	2	123.8650	0.009	2	123.8650	0.009	2	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	122.2490	0.000	1	122.1465	0.021	2	122.3590	0.058	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	122.0440	0.000	1	122.1465	0.021	2	122.3590	0.058	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	122.7000	0.000	1	122.7000	0.000	1	122.3590	0.058	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	122.4070	0.000	1	122.4010	0.000	2	122.3590	0.058	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|H<1>}	122.3950	0.000	1	122.4010	0.000	2	122.3590	0.058	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	122.9240	0.000	1	122.9240	0.000	1	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,3|H<1>}	121.2240	0.000	1	121.2240	0.000	1	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2{2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	120.1880	0.000	1	120.1880	0.000	1	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	125.3460	0.000	1	124.0503	10.905	6	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	117.4440	0.000	1	124.0503	10.905	6	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{2|N<3>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	125.7670	0.836	2	124.0503	10.905	6	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	124.9890	0.922	2	124.0503	10.905	6	123.1820	8.989	9	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:P[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2{2|P<3>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	123.2110	0.372	2	121.0703	13.817	3	121.0703	13.817	3	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:P[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2{2|P<4>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	116.7890	0.000	1	121.0703	13.817	3	121.0703	13.817	3	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|P<4>,2|H<1>}	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|C<4>,2|H<1>}	118.8720	0.064	3	118.8720	0.004	3	118.8720	0.004	3	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[3,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3)	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2{1|P<2>,2|C<4>}	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	119.5570	0.236	2	119.5570	0.056	2	119.5570	0.056	2	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](P[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](P[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	118.4340	0.000	1	118.4340	0.000	1	119.3693	0.711	3	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](P[5,6]P[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	C[6](P[5,6]P[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,1|P<3>,2|H<1>}	120.0720	0.000	1	120.0720	0.000	1	119.3693	0.711	3	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](P[5,6]P[5,6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,1|P<3>,2|H<1>}	C[6](P[5,6]P[5,6]N[5])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	119.6020	0.000	1	119.6020	0.000	1	119.3693	0.711	3	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	C[6](P[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<3>,2|H<1>}	119.7705	0.820	2	119.7705	0.672	2	119.7705	0.672	2	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]C[5]P[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	C[6](P[6]C[5]P[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|N<3>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	118.1250	0.000	1	118.1250	0.000	1	118.5780	0.410	2	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]C[6a]P[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	C[6](P[6]C[6a]P[6])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	119.0310	0.000	1	119.0310	0.000	1	118.5780	0.410	2	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](S[6]C[6]Pt)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>}	C[6](S[6]C[6]Pt)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<3>,2|C<4>,2|H<1>}	124.0620	0.000	1	124.0620	0.000	1	122.7632	18.430	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](S[6]S[6]Ru)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Ru<6>,1|S<3>,2|H<1>}	C[6](S[6]S[6]Ru)(C[6]C[6]C)(H)2{1|Ru<6>,2|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Ru<6>,1|S<3>,2|H<1>}	122.4385	4.886	4	122.4385	23.871	4	122.7632	18.430	5	121.4566	7.988	38	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:2:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,2|O<2>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:2:2:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(CC)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CC)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	121.3808	0.284	4	121.3808	0.080	4	121.3808	0.080	4	121.3808	0.080	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:2:3:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C){5|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	O[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH)	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH){1|H<1>,1|N<3>,2|C<3>}	122.1180	0.000	1	122.1180	0.000	1	122.1180	0.000	1	122.1180	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:C-4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.5600	0.280	6	121.5600	0.078	6	121.5600	0.078	6	121.5600	0.078	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,3|H<1>}	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	120.8976	1.590	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	119.5250	0.148	2	119.5250	0.022	2	119.5250	0.022	2	120.8976	1.590	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	121.8300	0.233	2	121.8300	0.054	2	121.8300	0.054	2	120.8976	1.590	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	119.9635	0.114	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C[3]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H){4|H<1>,6|C<3>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.9635	0.114	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	122.4057	0.430	3	122.4057	0.185	3	122.4057	0.185	3	122.2465	0.225	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	122.2465	0.225	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:3:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|H<1>,3|C<3>}	117.7730	0.488	2	117.7730	0.238	2	117.7730	0.238	2	117.7730	0.238	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:4:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:S[6]-2:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	118.8790	0.095	2	118.8790	0.009	2	118.8790	0.009	2	118.8790	0.009	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:4:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|O<2>,5|C<3>}	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)2(PCHO)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(PCHO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	117.3230	0.662	2	117.3230	0.438	2	118.3615	1.584	4	118.3615	1.584	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(PC[6]2Pd)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(PC[6]2Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	119.4000	0.038	2	119.4000	0.001	2	118.3615	1.584	4	118.3615	1.584	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|H<1>,1|N<3>,2|C<4>}	116.3330	0.000	1	116.3330	0.000	1	116.3330	0.000	1	116.3330	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	B[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	C[6](C[6]C[6]C)2(CH3)(H)	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CH3)(H){1|B<3>,2|C<4>}	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	123.0525	0.281	2	123.0525	0.079	2	123.0525	0.079	2	123.0525	0.079	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.8820	0.161	2	121.8820	0.026	2	122.1853	0.289	3	121.1706	1.510	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.7920	0.000	1	122.7920	0.000	1	122.1853	0.289	3	121.1706	1.510	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.1720	0.290	5	120.1720	0.084	5	120.1720	0.084	5	121.1706	1.510	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	123.3080	0.000	1	123.3080	0.000	1	122.1450	2.705	2	121.1706	1.510	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	120.9820	0.000	1	120.9820	0.000	1	122.1450	2.705	2	121.1706	1.510	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-2:	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC)	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,2|H<1>}	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.3995	0.309	2	119.3995	0.095	2	119.3995	0.095	2	119.3995	0.095	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:4:4:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.3460	0.000	1	119.3460	0.000	1	119.3460	0.000	1	119.3460	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	121.4218	0.186	4	121.4218	0.035	4	121.4218	0.035	4	120.2099	2.113	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,2|H<1>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	120.2099	2.113	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.0020	0.506	3	120.0020	0.256	3	120.0020	0.256	3	120.2099	2.113	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	120.2099	2.113	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:Si-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(SiC3)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(SiC3){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	120.2099	2.113	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	125.3490	0.000	1	125.3490	0.000	1	124.6390	1.008	2	124.6390	1.008	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	123.9290	0.000	1	123.9290	0.000	1	124.6390	1.008	2	124.6390	1.008	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	120.2330	0.293	3	120.2330	0.086	3	120.6085	0.621	4	120.6085	0.621	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3){3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	121.7350	0.000	1	121.7350	0.000	1	120.6085	0.621	4	120.6085	0.621	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3){1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	120.3250	0.000	1	120.3250	0.000	1	120.3250	0.000	1	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.1040	0.000	1	121.1040	0.000	1	121.3595	0.131	2	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.6150	0.000	1	121.6150	0.000	1	121.3595	0.131	2	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7290	0.827	2	120.7290	0.684	2	121.3215	0.454	8	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.4950	0.352	2	121.4950	0.124	2	121.3215	0.454	8	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.5480	0.000	1	122.5480	0.000	1	121.3215	0.454	8	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.2130	0.000	1	121.2130	0.000	1	121.3215	0.454	8	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.3470	0.000	1	121.3470	0.000	1	121.3215	0.454	8	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	121.0160	0.000	1	121.0160	0.000	1	121.3215	0.454	8	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	121.0740	0.000	1	121.0740	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	117.7960	0.000	1	119.0950	3.375	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	120.3940	0.000	1	119.0950	3.375	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.2900	0.000	1	121.2900	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.2873	0.064	3	121.2873	0.004	3	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	120.5280	0.052	2	120.5280	0.003	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.9170	0.000	1	121.9170	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.3610	0.000	1	121.3913	0.002	3	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.4065	0.054	2	121.3913	0.002	3	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	117.7770	0.000	1	117.7770	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	121.7990	0.440	2	121.7990	0.193	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	120.7235	0.081	2	120.7235	0.007	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	119.3445	0.258	2	119.3445	0.067	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.5285	0.097	2	121.5285	0.009	2	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,2|H<1>}	119.0460	0.000	1	119.0460	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.3450	0.000	1	121.3450	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	119.3620	0.000	1	119.3620	0.000	1	120.6354	1.423	25	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|Si<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	120.9640	0.120	2	120.9640	0.014	2	120.9640	0.014	2	120.8457	1.098	39	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,2|H<1>}	121.1415	0.296	2	121.1415	0.088	2	121.1415	0.088	2	121.0582	0.244	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]){1|C<4>,4|H<1>}	121.0397	0.540	9	121.0397	0.292	9	121.0397	0.292	9	121.0582	0.244	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|H<1>}	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO){1|C<4>,4|H<1>}	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3){1|C<4>,1|S<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9700	0.465	2	119.9700	0.216	2	119.2773	1.185	4	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	118.5845	1.191	2	118.5845	1.420	2	119.2773	1.185	4	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	126.3500	0.000	1	126.3500	0.000	1	126.3500	0.000	1	120.2783	6.652	10	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	116.6320	0.000	1	116.6320	0.000	1	120.2543	4.772	7	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	122.9220	0.000	1	122.9220	0.000	1	120.2543	4.772	7	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	121.8770	0.000	1	121.8770	0.000	1	120.2543	4.772	7	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	122.1130	0.000	1	122.1130	0.000	1	120.2543	4.772	7	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	119.5845	0.039	2	119.5845	0.002	2	120.2543	4.772	7	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO){1|C<4>,2|H<1>}	119.0670	0.000	1	119.0670	0.000	1	120.2543	4.772	7	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO){2|C<4>,3|H<1>}	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	120.6170	5.143	8	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	122.0760	0.359	2	122.0760	0.129	2	122.0760	0.129	2	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,4|H<1>}	120.4460	0.000	3	120.4460	0.000	3	120.3868	0.198	5	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	120.2980	0.874	2	120.2980	0.764	2	120.3868	0.198	5	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.5930	0.000	1	121.5930	0.000	1	122.5556	1.129	8	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.7240	1.105	2	122.7240	1.220	2	122.5556	1.129	8	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	124.1580	0.000	1	124.1580	0.000	1	122.5556	1.129	8	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	122.8370	0.197	2	122.8370	0.039	2	122.5556	1.129	8	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	122.7220	0.000	1	122.7220	0.000	1	122.5556	1.129	8	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	120.8500	0.000	1	120.8500	0.000	1	122.5556	1.129	8	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	120.7660	0.200	3	120.7660	0.040	3	120.7660	0.040	3	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	123.4150	0.000	1	123.4150	0.000	1	123.4150	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|B<4>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|B<4>,1|C<4>,6|H<1>}	121.9315	0.265	2	121.9315	0.070	2	121.5824	0.326	14	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.7440	0.000	1	121.7735	0.345	4	121.5824	0.326	14	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.3800	0.240	2	121.7735	0.345	4	121.5824	0.326	14	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.5900	0.000	1	121.7735	0.345	4	121.5824	0.326	14	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	121.3996	0.595	8	121.3996	0.355	8	121.5824	0.326	14	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.4505	0.042	2	121.4505	0.002	2	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.7130	0.000	1	121.7130	0.000	1	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.2090	0.000	1	121.2090	0.000	1	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.1140	0.400	2	122.1140	0.160	2	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.6283	0.852	6	121.6024	0.564	8	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.9130	0.000	1	121.6024	0.564	8	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.1360	0.000	1	121.6024	0.564	8	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	117.7870	0.000	1	117.7870	0.000	1	121.3771	1.332	15	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	120.8150	0.266	2	120.8150	0.071	2	120.8150	0.071	2	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	122.6850	0.311	2	122.6850	0.097	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	116.2410	0.117	2	116.2410	0.014	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	119.5630	0.000	1	119.5630	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.7483	0.378	3	121.7483	0.143	3	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.4183	0.645	6	121.2351	0.581	7	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.1360	0.000	1	121.2351	0.581	7	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.0070	0.119	2	121.0070	0.014	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.3630	0.000	1	122.3630	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.7290	0.000	1	122.1030	0.280	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.4770	0.000	1	122.1030	0.280	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	118.0050	0.000	1	118.0050	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.6750	0.000	1	120.0305	0.253	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3860	0.000	1	120.0305	0.253	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	120.1040	0.000	1	120.1040	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.8290	0.000	1	121.8290	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.9465	0.267	2	121.9465	0.071	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.5020	0.112	2	121.5020	0.012	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.9690	0.000	1	121.9690	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.2900	0.000	1	121.2900	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	121.4465	0.431	2	121.4465	0.185	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	121.1790	0.000	1	121.1790	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.2100	0.000	1	121.9305	0.156	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.6510	0.000	1	121.9305	0.156	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.4570	0.000	1	121.4570	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.3620	0.000	1	122.3620	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	121.6840	0.000	1	121.6840	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6590	0.000	1	121.4892	0.135	8	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.0690	0.000	1	121.4892	0.135	8	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	121.3100	0.000	1	121.4892	0.135	8	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	121.7230	0.000	1	121.4892	0.135	8	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.2883	0.333	4	121.4892	0.135	8	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.9580	0.000	1	121.9580	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	121.5090	0.089	2	121.5090	0.008	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,1|C<4>,1|C<6>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H){1|Pd<5>,1|C<2>,1|C<3>,2|C<1>,2|H<1>,3|C<4>}	122.5590	0.000	1	122.5590	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	124.8480	0.000	1	124.8480	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	121.7887	0.672	3	121.7887	0.452	3	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H){1|N<3>,3|C<4>,3|H<1>}	121.3510	0.000	1	121.3510	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	122.2205	0.121	2	122.2205	0.015	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	121.0210	0.403	2	121.0210	0.162	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	118.9305	0.416	2	118.9305	0.173	2	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.6550	0.000	1	119.6550	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.7250	0.000	1	121.7250	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.6760	0.000	1	121.6760	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.5230	0.000	1	121.5230	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	120.5840	0.000	1	120.5840	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	120.3810	0.000	1	120.3810	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	120.6160	0.000	1	120.6160	0.000	1	121.2319	1.779	69	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|C<4>,3|H<1>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|P<4>}	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl){1|P<4>,4|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	121.7390	0.000	1	121.7390	0.000	1	121.5713	8.774	3	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	121.4875	4.184	2	121.4875	17.505	2	121.5713	8.774	3	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:P-4:	C[6,6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]B[6]H)(PC3)	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H)	C[6](C[6]C[6,6]HH)(C[6]B[6]H)(PC3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2{1|B<4>,2|C<3>,7|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H){1|C<4>,4|C<3>,4|H<1>}	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO)	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]P)(H){1|C<3>,1|C<4>,2|H<1>}	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	124.2560	0.000	1	124.2560	0.000	1	124.2560	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Si-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(SiC3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H){2|C<4>,2|H<1>,3|C<3>}	116.5830	0.000	1	116.5830	0.000	1	116.5830	0.000	1	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Si-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H){2|C<4>,3|H<1>}	120.2215	0.192	2	120.2215	0.037	2	120.2215	0.037	2	121.3265	1.843	131	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	121.1490	0.175	2	121.1490	0.031	2	121.1490	0.031	2	121.1490	0.031	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	118.0750	0.000	1	118.0750	0.000	1	120.2750	9.680	2	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	122.4750	0.000	1	122.4750	0.000	1	120.2750	9.680	2	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	122.2340	0.000	1	122.2340	0.000	1	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO){1|C<4>,1|N<3>,3|H<1>}	121.3985	0.268	2	121.3985	0.072	2	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO){1|C<4>,2|H<1>,2|O<2>}	121.4660	0.000	1	121.4660	0.000	1	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	122.8116	0.437	7	122.8116	0.191	7	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	122.5490	0.000	1	122.5490	0.000	1	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	121.9890	0.000	1	121.9890	0.000	1	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC){1|C<4>,2|H<1>}	118.2740	0.000	1	118.2740	0.000	1	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH){1|C<4>,4|H<1>}	124.7240	0.779	2	124.7240	0.607	2	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC){1|C<4>,4|H<1>}	123.1410	0.000	1	123.1410	0.000	1	122.4458	2.153	17	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	122.2001	2.772	20	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	123.2165	0.861	4	123.2165	0.741	4	123.2165	0.741	4	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	B[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3)	C[6](B[5,6]C[5,6a]2P[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	C[6](B[5,6]C[5,6a]2P[6])(C[6]C[6]C)(H)2{4|C<3>,4|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|B<4>,2|C<4>,2|H<1>}	126.4810	0.000	1	126.4810	0.000	1	126.4810	0.000	1	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	118.0080	0.351	2	118.0080	0.123	2	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	123.5400	0.000	1	123.5400	0.000	1	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	117.8685	0.651	2	119.0803	4.618	3	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.5040	0.000	1	119.0803	4.618	3	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	122.4180	0.000	1	122.4180	0.000	1	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{3|C<4>,4|C<3>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	118.4100	0.000	1	119.0005	0.697	2	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>,3|C<3>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,2|H<1>}	119.5910	0.000	1	119.0005	0.697	2	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,1|S<2>,3|H<1>}	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2{1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	118.9470	0.000	1	118.9470	0.000	1	119.6163	4.505	10	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	122.4530	0.000	1	122.4530	0.000	1	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	122.7470	0.000	1	122.5915	0.048	2	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	122.4360	0.000	1	122.5915	0.048	2	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	122.0540	0.451	2	122.1169	0.130	7	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.8420	0.000	1	122.1169	0.130	7	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	121.9055	0.073	2	122.1169	0.130	7	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.7030	0.000	1	122.1169	0.130	7	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	122.3540	0.000	1	122.1169	0.130	7	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	118.2790	0.000	1	118.2790	0.000	1	121.8848	1.553	11	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	122.7050	0.000	1	122.7050	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	122.0330	0.000	1	122.0330	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	123.4415	0.288	4	123.4415	0.083	4	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	123.1550	0.000	1	123.1550	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	122.2090	0.000	1	122.2090	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,6|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	124.8320	0.000	1	125.2567	0.727	3	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,2|O<1>,6|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>,2|O<1>}	125.4690	1.088	2	125.2567	0.727	3	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,2|C<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	123.6510	0.000	1	123.6510	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	121.9480	0.000	1	121.9480	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<4>,4|H<1>}	121.4110	0.000	1	121.4110	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	121.5310	0.000	1	121.5310	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	120.7340	0.000	1	120.7340	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	122.0260	0.000	1	122.2266	0.146	5	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2767	0.422	4	122.2266	0.146	5	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	121.7140	0.000	1	121.7140	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HfN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Hf<11>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HfN)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Hf<11>,1|C<4>,1|N<3>,2|H<1>}	122.0498	0.410	4	122.0498	0.168	4	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,4|H<1>}	122.5842	0.385	4	122.5842	0.148	4	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2{1|Pt<4>,1|S<3>,4|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>}	127.4510	0.000	1	127.4510	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<11>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<11>,1|C<4>,1|N<3>,2|H<1>}	122.1647	0.150	4	122.1647	0.023	4	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<14>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<14>,1|C<4>,1|O<2>,2|H<1>}	122.6385	0.558	4	122.6385	0.312	4	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|S<4>,2|H<1>}	122.2870	0.000	1	122.2870	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	120.6650	0.000	1	120.6650	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2{1|W<6>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|W<6>,2|C<4>,2|H<1>}	125.1940	0.000	1	125.1940	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|Si<4>,1|N<3>,2|H<1>}	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	126.3215	0.412	2	126.3215	0.170	2	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.1430	0.000	1	122.1430	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.1010	0.000	1	122.1010	0.000	1	122.8694	2.203	46	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	124.5525	0.514	2	122.6098	2.384	6	122.6098	2.384	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	121.7165	0.285	2	122.6098	2.384	6	122.6098	2.384	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	121.5605	0.479	2	122.6098	2.384	6	122.6098	2.384	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3)	C[6](P[4,6]P[4,6]C[4]W)(C[6]C[6]C)(H)2	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C[6](P[4,6]P[4,6]C[4]W)(C[6]C[6]C)(H)2{1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	120.5397	0.341	4	120.5397	0.117	4	120.5397	0.117	4	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	118.7580	0.000	1	118.7580	0.000	1	117.9770	0.413	5	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2{1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,1|S<2>,3|H<1>}	118.5820	0.000	1	118.5820	0.000	1	117.9770	0.413	5	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|C<4>,2|H<1>}	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2{1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|P<4>,2|H<1>}	117.5150	0.132	3	117.5150	0.017	3	117.9770	0.413	5	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]As[6,6]C[6]W)(C[6]C[6]C)(H)2	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|As<3>,1|C<4>,1|W<6>,2|H<1>}	C[6](P[6,6]As[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	119.7230	0.544	2	119.7230	0.296	2	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]Mo)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,1|C<4>,1|P<4>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]Mo)(C[6]C[6]C)(H)2{1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,1|C<4>,1|P<4>,2|H<1>}	119.6384	0.812	16	119.6384	0.659	16	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|P<4>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|P<4>,2|H<1>}	120.2823	0.691	8	120.2823	0.478	8	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]Ni)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Ni<4>,1|C<4>,1|P<4>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]Ni)(C[6]C[6]C)(H)2{1|Ni<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Ni<4>,1|C<4>,1|P<4>,2|H<1>}	120.3754	0.908	8	120.3754	0.824	8	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<3>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	119.2030	0.610	2	119.7223	0.498	4	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<4>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<4>,2|H<1>}	120.2415	0.209	2	119.7223	0.498	4	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|H<1>}	119.7740	0.435	3	119.7740	0.189	3	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	119.4458	0.902	4	119.4458	0.813	4	119.8870	0.653	45	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|B<4>,2|C<4>,2|H<1>}	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	124.9730	0.000	1	124.9730	0.000	1	123.5990	7.639	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]C[6]CW)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|W<6>,2|C<4>,2|H<1>}	C[6](P[6]C[6]CW)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,3|H<1>}	124.5340	0.000	1	124.5340	0.000	1	123.5990	7.639	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]C[6a]S[6]W)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<2>,1|W<6>,2|H<1>}	C[6](P[6]C[6a]S[6]W)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|H<1>}	118.0870	0.000	1	118.0870	0.000	1	123.5990	7.639	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{1|P<3>,1|P<4>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	123.6630	0.000	1	124.6667	0.815	3	123.5990	7.639	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{1|P<3>,1|P<4>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	125.4120	0.000	1	124.6667	0.815	3	123.5990	7.639	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{2|P<4>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	124.9250	0.000	1	124.6667	0.815	3	123.5990	7.639	6	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>,2|O<1>}	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<4>,2|C<4>,2|H<1>}	122.6730	0.649	2	122.6730	0.421	2	122.6730	0.421	2	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|C<3>,2|H<1>}	118.5630	0.000	1	118.5630	0.000	1	121.9063	8.432	3	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|Si<4>,1|N<3>,2|H<1>}	123.5780	0.311	2	123.5780	0.097	2	121.9063	8.432	3	121.4232	4.469	143	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	121.0360	0.000	1	121.0360	0.000	1	121.0360	0.000	1	121.0360	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	122.3820	0.000	1	122.3820	0.000	1	122.3820	0.000	1	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	119.2420	0.000	1	119.2420	0.000	1	119.3880	0.024	3	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	119.4610	0.129	2	119.4610	0.017	2	119.3880	0.024	3	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	122.0735	0.749	2	122.0735	0.561	2	120.9733	1.230	7	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	121.0330	0.000	1	120.9193	0.150	4	120.9733	1.230	7	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.6220	0.168	2	120.9193	0.150	4	120.9733	1.230	7	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	121.4000	0.000	1	120.9193	0.150	4	120.9733	1.230	7	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	118.9890	0.000	1	118.9890	0.000	1	120.9733	1.230	7	120.6690	1.593	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:4:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3){1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H){1|H<1>,2|O<2>,5|C<4>}	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	117.5510	0.000	1	117.5510	0.000	1	117.5510	0.000	1	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	116.4670	0.000	1	116.4670	0.000	1	116.4670	0.000	1	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.7800	0.000	1	121.7800	0.000	1	122.5987	0.580	3	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	123.0080	0.393	2	123.0080	0.155	2	122.5987	0.580	3	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	121.2370	0.000	1	121.2370	0.000	1	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]O[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>}	120.8110	0.000	1	120.8110	0.000	1	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	121.4560	0.000	1	121.4560	0.000	1	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	120.9790	0.000	2	120.9790	0.000	2	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9690	0.000	1	120.9690	0.000	1	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	120.8365	0.422	2	120.8365	0.178	2	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3148	0.134	4	121.3148	0.018	4	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	122.8770	0.000	1	122.8770	0.000	1	121.2492	0.308	13	120.9795	2.554	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	121.9790	0.000	1	121.9790	0.000	1	122.4776	0.836	5	122.4776	0.836	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.5400	0.000	1	122.5400	0.000	1	122.4776	0.836	5	122.4776	0.836	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	123.2310	0.000	1	123.2310	0.000	1	122.4776	0.836	5	122.4776	0.836	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O){1|C<4>,1|O<2>,3|H<1>}	121.2070	0.000	1	121.2070	0.000	1	122.4776	0.836	5	122.4776	0.836	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	123.4310	0.000	1	123.4310	0.000	1	122.4776	0.836	5	122.4776	0.836	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	121.6990	0.000	1	121.6990	0.000	1	119.2233	6.418	13	119.2233	6.418	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	118.6650	0.177	2	117.9019	1.115	9	119.2233	6.418	13	119.2233	6.418	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	117.6839	1.110	7	117.9019	1.115	9	119.2233	6.418	13	119.2233	6.418	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	122.2790	4.080	2	122.2790	16.646	2	119.2233	6.418	13	119.2233	6.418	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	122.5290	0.000	1	122.5290	0.000	1	119.2233	6.418	13	119.2233	6.418	13	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|O<2>}	117.0500	0.000	1	117.0500	0.000	1	118.4320	3.820	2	118.4320	3.820	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:2:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	119.8140	0.000	1	119.8140	0.000	1	118.4320	3.820	2	118.4320	3.820	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	121.5782	0.604	4	121.5782	0.365	4	121.1202	0.730	6	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	120.3350	0.000	1	120.3350	0.000	1	121.1202	0.730	6	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	120.0730	0.000	1	120.0730	0.000	1	121.1202	0.730	6	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,1|C<4>,2|H<1>}	119.6500	0.404	2	119.6500	0.164	2	119.6500	0.164	2	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	120.7000	0.733	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	121.0570	0.300	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,1|H<1>,2|C<2>}	121.4440	0.000	1	121.4440	0.000	1	121.4440	0.000	1	121.0570	0.300	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	120.9700	0.000	1	120.9700	0.000	1	120.7253	6.163	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.3560	0.000	2	121.3560	0.000	2	120.7253	6.163	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	123.3640	0.000	1	123.3640	0.000	1	120.7253	6.163	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.3370	0.000	1	121.3370	0.000	1	120.7253	6.163	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	115.9690	0.000	1	115.9690	0.000	1	120.7253	6.163	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	115.5295	0.076	2	115.5295	0.006	2	115.5295	0.006	2	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3325	0.535	2	121.3325	0.287	2	121.0103	0.440	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<4>}	121.1350	0.000	1	121.1350	0.000	1	121.0103	0.440	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	120.0000	0.000	1	120.0000	0.000	1	121.0103	0.440	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1310	0.800	2	121.1310	0.641	2	121.0103	0.440	6	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	122.9210	0.000	1	122.9210	0.000	1	122.9210	0.000	1	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	124.0730	0.000	1	124.0730	0.000	1	124.0730	0.000	1	120.2343	7.910	17	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:2:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO){3|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH){1|C<4>,2|C<3>,2|H<1>}	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<3>,1|C<4>,3|H<1>}	123.7250	0.000	1	123.7250	0.000	1	123.7250	0.000	1	122.6515	2.305	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	122.6515	2.305	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F)	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F){2|C<3>,2|C<4>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	115.5775	78.940	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	115.5775	78.940	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	118.8330	0.000	1	118.8330	0.000	1	118.8330	0.000	1	118.7775	6.881	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	117.9320	0.000	1	117.9320	0.000	1	120.1180	9.557	2	118.7775	6.881	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|S<4>,2|C<4>,2|H<1>}	122.3040	0.000	1	122.3040	0.000	1	120.1180	9.557	2	118.7775	6.881	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|N<4>,2|H<1>}	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	118.7775	6.881	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	121.2030	0.000	1	121.2030	0.000	1	121.2030	0.000	1	121.2030	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<4>}	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	115.9150	0.000	1	115.9150	0.000	1	115.2244	0.332	5	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	115.0517	0.493	4	115.0517	0.243	4	115.2244	0.332	5	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	117.6740	0.000	1	117.6740	0.000	1	116.2917	1.221	14	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	115.8950	0.000	1	115.8950	0.000	1	116.2917	1.221	14	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.5020	0.410	4	115.9426	0.390	9	116.2917	1.221	14	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	115.4950	0.300	5	115.9426	0.390	9	116.2917	1.221	14	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	115.8910	0.720	2	115.8910	0.518	2	116.2917	1.221	14	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	119.2500	0.000	1	119.2500	0.000	1	116.2917	1.221	14	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	117.1590	0.000	1	117.1590	0.000	1	117.1590	0.000	1	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H){3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.6060	0.000	1	121.6060	0.000	1	121.7011	0.320	7	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>}	120.5060	0.000	1	120.5060	0.000	1	121.7011	0.320	7	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.9592	0.194	5	121.9592	0.038	5	121.7011	0.320	7	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.7740	0.000	1	120.7740	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	119.5870	0.000	1	119.5870	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.9380	0.000	1	120.9380	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	121.8160	0.000	2	121.8160	0.000	2	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.1647	0.858	4	123.1647	0.735	4	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2600	0.362	2	122.2600	0.131	2	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.6810	0.000	1	122.6810	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<2>,2|C<4>}	124.2770	0.000	1	124.2770	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,2|C<4>,2|H<1>}	122.0910	0.000	1	122.0910	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.0150	0.000	1	121.0150	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.0900	0.000	1	122.0900	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	121.8440	0.000	1	121.8440	0.000	1	122.1240	1.426	17	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,3|H<1>}	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	119.5582	9.610	49	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	121.1640	0.000	1	121.1640	0.000	1	122.1831	0.854	7	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H){2|C<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,2|C<2>,2|C<4>}	122.6440	0.000	1	122.6440	0.000	1	122.1831	0.854	7	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.9820	0.000	1	122.9820	0.000	1	122.1831	0.854	7	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	120.7430	0.000	1	120.7430	0.000	1	122.1831	0.854	7	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	122.4355	0.742	2	122.5830	0.340	3	122.1831	0.854	7	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	122.8780	0.000	1	122.5830	0.340	3	122.1831	0.854	7	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	124.1600	0.000	1	123.5195	0.820	2	123.4648	0.366	4	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	122.8790	0.000	1	123.5195	0.820	2	123.4648	0.366	4	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	123.4100	0.516	2	123.4100	0.266	2	123.4648	0.366	4	122.6492	1.040	11	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	121.9930	0.000	1	121.9930	0.000	1	121.9930	0.000	1	121.9930	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:3:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	122.2980	0.000	1	122.2980	0.000	1	121.7917	0.253	3	121.7917	0.253	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	121.5385	0.349	2	121.5385	0.122	2	121.7917	0.253	3	121.7917	0.253	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	117.2450	0.000	1	117.2450	0.000	1	117.2450	0.000	1	119.4263	4.591	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	121.5280	0.000	1	121.5280	0.000	1	120.5170	2.044	2	119.4263	4.591	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	119.5060	0.000	1	119.5060	0.000	1	120.5170	2.044	2	119.4263	4.591	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|H<1>,3|C<4>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	122.9075	1.420	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	123.7500	0.000	1	123.7500	0.000	1	123.7500	0.000	1	122.9075	1.420	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	118.2730	0.000	1	118.2730	0.000	1	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	122.9780	0.000	1	122.9780	0.000	1	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	123.1538	0.390	4	123.1538	0.152	4	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	118.8450	0.492	2	118.8450	0.242	2	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	117.0650	0.000	1	117.0650	0.000	1	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	118.0570	0.055	2	118.0570	0.003	2	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	119.6366	0.662	7	119.6366	0.438	7	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	123.1530	0.000	1	123.1530	0.000	1	120.2813	4.620	19	120.2813	4.620	19	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:P-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,2|P<4>}	121.6985	0.207	2	121.4400	0.130	4	121.4400	0.130	4	121.4400	0.130	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:P-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>}	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|H<1>,2|P<4>}	121.1815	0.284	2	121.4400	0.130	4	121.4400	0.130	4	121.4400	0.130	4	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:3:4:	4:4:3:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[3]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.1890	1.142	3	122.1890	1.305	3	122.1890	1.305	3	122.1890	1.305	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	118.6750	0.000	1	118.6750	0.000	1	118.6750	0.000	1	118.2975	1.865	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	119.3010	0.000	1	119.3010	0.000	1	118.2220	2.289	5	118.2975	1.865	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	118.2075	0.650	2	118.2075	0.422	2	118.2220	2.289	5	118.2975	1.865	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	117.6970	2.649	2	117.6970	7.016	2	118.2220	2.289	5	118.2975	1.865	6	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:	C[6]-4:C-4:C[6]-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	121.0930	0.000	1	121.0930	0.000	1	121.0930	0.000	1	121.0930	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:3:4:	C[6]-4:P[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	120.1203	1.898	3	120.1203	3.601	3	120.1203	3.601	3	120.1203	3.601	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[4]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	120.8720	0.000	1	120.8720	0.000	1	120.8300	0.004	2	121.0333	0.126	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[4]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	120.7880	0.000	1	120.7880	0.000	1	120.8300	0.004	2	121.0333	0.126	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.0333	0.126	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	122.1090	0.000	2	122.1090	0.000	2	122.1090	0.000	2	122.1090	0.000	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3,5,5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	122.5160	0.572	3	122.5160	0.327	3	122.5160	0.327	3	122.5160	0.327	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:3:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	108.7090	0.000	1	109.5990	1.584	2	109.5990	1.584	2	109.5990	1.584	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:3:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	110.4890	0.000	1	109.5990	1.584	2	109.5990	1.584	2	109.5990	1.584	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:4:4:	3:4:4:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H)	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){2|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H){2|N<3>,4|C<4>,5|H<1>}	121.3690	0.000	1	121.3690	0.000	1	121.1530	0.166	3	121.1530	0.166	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2{3|C<4>,3|N<3>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	120.6830	0.000	1	120.6830	0.000	1	121.1530	0.166	3	121.1530	0.166	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|C<4>,3|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	121.4070	0.000	1	121.4070	0.000	1	121.1530	0.166	3	121.1530	0.166	3	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:2:	C[6]-4:P[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O)	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O){2|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2{1|O<1>,2|C<4>,2|H<1>,5|O<2>}	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	122.8770	0.000	1	122.8770	0.000	1	122.8770	0.000	1	122.8770	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	121.7190	0.000	1	121.7190	0.000	1	121.7190	0.000	1	121.7190	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2{1|C<2>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO){1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){3|C<4>,8|H<1>}	124.4770	0.105	2	124.4770	0.011	2	124.4770	0.011	2	124.4770	0.011	2	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,1|S<3>,3|H<1>}	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(H){2|H<1>,2|O<2>,4|C<4>}	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	120.8546	1.544	5	121.2341	9.534	7570	120.7904	12.660	13956
762	466	762	6:SP2_SP2_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){4|C<4>,4|H<1>}	120.4105	0.862	4	120.4105	0.744	4	120.4105	0.744	4	120.8546	1.544	5	121.2341	9.534	7570	120.7904	12.660	13956