818	474	562	0:SP2_SP3_SP3	C[5]	C[5,6]	Si[5]	4:4:2:	3:4:4:4:	3:3:4:1:	Si[5]-4:C[5,6]-4:N[5]-2:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-3:Si[5,5]-4:H-1:	C[5](Si[5]C[5,6a]Si[5,5]H)(C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H)	C[5](Si[5]C[5,6a]Si[5,5]H)(C[5,6]C[5]C[6]2)(N[5]C[5]){3|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,3|C<4>,5|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H){11|C<4>,1|N<2>,2|C<3>}	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1
818	474	562	5:SP2_SP3_SP3	C[5,5]	C[5,5]	Si[5]	4:4:3:	3:3:3:4:	3:3:4:4:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5,5]-3:N[5]-3:C-4:C-4:	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2{1|Cl<1>,2|C<3>,2|C<4>}	114.8840	0.000	2	114.8840	0.000	2	114.8840	0.000	2	114.8840	0.000	2	114.8840	0.000	2	110.6658	11.112	8
818	474	562	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	Si[5]	4:3:4:	3:3:3:2:	3:3:4:4:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){1|O<2>,7|C<3>}	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	111.4855	2.413	2	110.6658	11.112	8
818	474	562	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	Si[5]	4:3:4:	3:4:3:3:	3:3:4:4:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){10|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,2|C<4>,4|C<3>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	111.4855	2.413	2	110.6658	11.112	8
818	474	562	5:SP2_SP3_SP3	C[5]	C[5,6]	Si[5,5]	4:4:2:	3:4:4:4:	4:4:3:4:	Si[5,5]-4:C[5,6]-4:N-2:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	Si[5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a])	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC)	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a]){3|C<3>,6|C<4>,7|H<1>}	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,4|C<4>,4|H<1>}	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	110.6658	11.112	8
818	474	562	5:SP2_SP3_SP3	C[5]	C[5,6]	Si[5]	4:4:3:	3:4:3:3:	3:2:4:4:	C[5,6]-4:Si[5]-4:C-3:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	Si[5](C[5]C[5,6]C)(O[5]C[5])(CCCH)2	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	Si[5](C[5]C[5,6]C)(O[5]C[5])(CCCH)2{2|C<3>,2|H<1>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	110.6658	11.112	8
818	474	562	5:SP2_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:	4:3:4:1:	4:3:4:2:	C[5]-4:Si[5]-4:C-3:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH)	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH){2|Si<4>,2|H<1>}	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	109.8420	0.970	2	109.8420	0.941	2	109.8420	0.941	2	109.8420	0.941	2	109.8420	0.941	2	110.6658	11.112	8
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	3:3:1:1:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:I-1:I-1:I-1:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3)	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2	B(C[5]C[5]N[5])(I)3	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3){1|Br<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2{1|Br<1>,3|C<3>}	B(C[5]C[5]N[5])(I)3	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:1:1:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	B(C[5]C[5]N[5])(Cl)3	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3){2|Si<4>,1|O<2>,2|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	B(C[5]C[5]N[5])(Cl)3	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:1:1:	3:3:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:B-3:Br-1:Br-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	B(C[5]C[5]N[5])(BBr2)(Br)2	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B){2|Si<4>,1|O<2>,2|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	B(C[5]C[5]N[5])(BBr2)(Br)2	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:Br-1:Br-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(Br)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(Br)2(H)	128.4390	0.000	1	128.4390	0.000	1	128.4390	0.000	1	125.0597	8.628	3	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(Cl)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(Cl)3	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	125.0597	8.628	3	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(H)3	123.6220	0.000	1	123.6220	0.000	1	123.6220	0.000	1	125.0597	8.628	3	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:2:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:O-2:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	B(C[5]C[5]N[5])(OS)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(OS)(H)2	127.8210	0.000	1	127.8210	0.000	1	127.8210	0.000	1	127.8210	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:3:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:Br-1:Br-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	121.7465	2.254	2	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:3:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(NSi2)(Cl)2	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	121.7465	2.254	2	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:3:2:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:O-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:3:4:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	129.9960	0.000	1	129.9960	0.000	1	129.9960	0.000	1	129.9960	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	3:4:4:	4:3:4:4:	3:4:1:1:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(CCHH)(H)2	125.7350	0.000	1	125.7350	0.000	1	125.7350	0.000	1	125.7350	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	610	0:SP2_SP3_SP3	C[5]	C[5]	B	4:3:4:	3:4:3:4:	3:1:1:1:	C[5]-4:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	B(C[5]C[5]N[5])(F)3	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	123.5218	12.601	13	123.5218	12.601	13
818	474	618	0:SP2_SP2_SP3	C[5]	C[5,6]	B[6]	4:3:3:	3:4:4:4:	3:3:3:	C[5,6]-4:N[5]-3:B[6]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2)	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	B[6](C[5]C[5,6]N[5])(C[6]C[6]C)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2){4|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{3|C<3>,3|C<4>,4|H<1>}	B[6](C[5]C[5,6]N[5])(C[6]C[6]C)2{1|C<3>,7|C<4>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:	3:2:1:1:	3:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:	3:4:1:1:	3:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.3960	0.000	1	118.3960	0.000	1	118.3960	0.000	1	118.3790	0.001	2	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:	3:4:1:1:	3:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3790	0.001	2	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	115.5425	0.709	2	115.5425	0.503	2	116.2742	2.904	5	116.2742	2.904	5	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	119.2550	0.000	1	119.2550	0.000	1	116.2742	2.904	5	116.2742	2.904	5	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	115.5155	0.066	2	115.5155	0.004	2	116.2742	2.904	5	116.2742	2.904	5	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2{1|O<1>,2|C<4>}	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5]){1|C<3>,5|C<4>,7|H<1>}	119.2230	1.606	4	119.2230	2.580	4	119.2230	2.580	4	119.8029	2.331	7	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]){2|C<3>,4|C<4>,5|H<1>}	119.8670	0.301	2	119.8670	0.091	2	120.5760	1.553	3	119.8029	2.331	7	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6]){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	121.9940	0.000	1	121.9940	0.000	1	120.5760	1.553	3	119.8029	2.331	7	118.6196	4.412	17	118.6196	4.412	17
818	474	622	0:SP2_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:	3:3:3:4:	3:4:	C[5]-4:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-4:	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	119.3140	0.420	2	119.3140	0.176	2	119.3140	0.176	2	119.3140	0.176	2	118.6196	4.412	17	118.6196	4.412	17
818	474	622	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:	3:4:4:2:	3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	115.2750	0.000	1	115.2750	0.000	1	115.8270	0.609	2	115.8270	0.609	2	115.8270	0.609	2	117.6841	11.393	8
818	474	622	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:	3:4:4:2:	3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	116.3790	0.000	1	116.3790	0.000	1	115.8270	0.609	2	115.8270	0.609	2	115.8270	0.609	2	117.6841	11.393	8
818	474	622	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	O[6]	4:3:2:	4:4:3:4:	3:4:	C[5,5,6,6]-4:C[5]-3:O[6]-2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6])	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH)	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	117.6841	11.393	8
818	474	622	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	O[6]	4:3:2:	3:4:4:2:	3:4:	C[5,6,6]-4:C[5]-3:O[6]-2:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	117.6841	11.393	8
818	474	622	6:SP2_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:	3:4:4:1:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	114.9360	0.000	3	114.9360	0.000	3	114.9360	0.000	3	114.9360	0.000	3	116.9008	15.441	4	117.6841	11.393	8
818	474	622	6:SP2_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:	4:3:3:3:	3:3:	C[5,6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C-3:	C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C){1|N<2>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO){1|C<2>,1|N<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	116.9008	15.441	4	117.6841	11.393	8
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	131.1630	0.000	1	131.1630	0.000	1	131.1630	0.000	1	131.1630	0.000	1	130.1265	2.149	2	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[6,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	129.0900	0.000	1	129.0900	0.000	1	129.0900	0.000	1	129.0900	0.000	1	130.1265	2.149	2	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	C[6a](C[5,6]C[5,5,6,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6,6]C[5,6])(C[6a]C[6a]F)2{2|Si<4>,1|C<3>,2|F<1>,3|C<4>}	125.6370	0.000	1	125.6370	0.000	1	125.6370	0.000	1	125.6370	0.000	1	125.6370	0.000	1	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	121.6370	0.774	4	121.6370	0.600	4	121.6370	0.600	4	122.5271	1.688	11	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	121.7770	0.261	3	121.7770	0.068	3	123.0357	1.684	7	122.5271	1.688	11	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.9797	0.741	4	123.9797	0.549	4	123.0357	1.684	7	122.5271	1.688	11	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	121.4145	0.433	4	121.4145	0.188	4	121.4145	0.188	4	121.4145	0.188	4	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,3|H<1>,7|C<3>}	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	123.6600	0.000	1	123.6600	0.000	1	123.6600	0.000	1	122.9507	1.176	6	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	123.9770	0.000	1	123.9770	0.000	1	122.8088	1.319	5	122.9507	1.176	6	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	122.5168	1.091	4	122.5168	1.190	4	122.8088	1.319	5	122.9507	1.176	6	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	B[5,5]-3:C[5,6]-3:C[5,6]-4:Si-4:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3){1|Si<4>,1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)2{1|Si<4>,1|C<3>,2|B<3>,2|C<4>,2|F<1>}	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<3>,2|C<3>,2|H<1>,3|C<4>}	120.7885	1.586	2	122.5313	2.706	6	122.5313	2.706	6	122.5313	2.706	6	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	123.7910	0.598	2	122.5313	2.706	6	122.5313	2.706	6	122.5313	2.706	6	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Rh<6>,1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	123.0145	0.971	2	122.5313	2.706	6	122.5313	2.706	6	122.5313	2.706	6	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	123.8850	0.000	1	123.8850	0.000	1	122.8311	3.014	7	122.8311	3.014	7	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	121.5035	0.430	4	121.5035	0.185	4	122.8311	3.014	7	122.8311	3.014	7	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,1|S<3>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	124.9595	0.558	2	124.9595	0.311	2	122.8311	3.014	7	122.8311	3.014	7	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,9|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	122.4970	0.000	1	122.4970	0.000	1	121.9646	1.233	5	121.9646	1.233	5	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){1|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	120.6700	0.000	1	120.6700	0.000	1	121.9646	1.233	5	121.9646	1.233	5	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	123.5530	0.000	1	123.5530	0.000	1	121.9646	1.233	5	121.9646	1.233	5	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){2|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	121.3190	0.000	1	121.3190	0.000	1	121.9646	1.233	5	121.9646	1.233	5	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){2|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	121.7840	0.000	1	121.7840	0.000	1	121.9646	1.233	5	121.9646	1.233	5	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	B[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2){11|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	124.8365	2.316	4	124.8365	5.366	4	124.8365	5.366	4	124.3334	3.524	7	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	123.6627	1.158	3	123.6627	1.342	3	123.6627	1.342	3	124.3334	3.524	7	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	121.7550	0.000	1	121.7550	0.000	1	123.7670	3.040	3	123.7670	3.040	3	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	124.7730	0.085	2	124.7730	0.007	2	123.7670	3.040	3	123.7670	3.040	3	122.8666	2.580	52	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	126.3790	0.000	1	126.3790	0.000	1	126.3790	0.000	1	126.3790	0.000	1	125.5440	1.394	2	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	125.5440	1.394	2	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH){1|Si<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	128.8690	0.000	1	128.8690	0.000	1	128.8690	0.000	1	128.8690	0.000	1	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	129.3940	0.000	1	129.3940	0.000	1	129.3940	0.000	1	129.3940	0.000	1	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-2:C-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2{1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,4|H<1>}	125.7690	0.445	2	125.7690	0.198	2	125.7690	0.198	2	125.7690	0.198	2	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	127.1270	0.000	1	127.1270	0.000	1	128.5700	4.164	2	127.9573	3.208	3	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	130.0130	0.000	1	130.0130	0.000	1	128.5700	4.164	2	127.9573	3.208	3	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6]){1|Si<4>,1|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	127.9573	3.208	3	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	125.6930	0.000	1	125.6930	0.000	1	125.6930	0.000	1	125.6930	0.000	1	127.4207	3.130	8	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[3x5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	122.2043	1.480	3	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[3x5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[3x5]-4:C[6a]-3:C[5]-3:	C[3x5]-4:C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	122.2043	1.480	3	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[3x5]	C[6a]	4:3:3:	4:3:4:2:	3:3:3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5,5]-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5])	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	122.2043	1.480	3	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:2:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5]){1|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){1|N<2>,9|C<3>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	123.1467	11.657	4	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5]){2|O<2>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2{2|Cl<1>,1|C<4>,1|O<2>,3|C<3>}	124.5590	0.000	1	124.5590	0.000	1	124.5590	0.000	1	124.5590	0.000	1	123.1467	11.657	4	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:2:	4:3:4:3:	3:3:2:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.6750	0.000	1	124.6750	0.000	1	124.6750	0.000	1	124.6750	0.000	1	123.1467	11.657	4	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)2{1|Ir<8>,2|C<4>,2|H<1>,3|C<3>}	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	123.1467	11.657	4	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5,5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]O[5]){2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.5225	0.593	2	125.5225	0.352	2	125.5225	0.352	2	125.5225	0.352	2	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.9867	0.788	3	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	120.1560	1.185	2	120.1560	1.404	2	120.1560	1.404	2	119.9867	0.788	3	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	122.5224	1.680	5	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	123.4800	0.000	1	122.4370	1.427	3	122.4370	1.427	3	122.5224	1.680	5	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	121.9155	1.105	2	122.4370	1.427	3	122.4370	1.427	3	122.5224	1.680	5	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.0310	0.000	1	124.0310	0.000	1	124.0310	0.000	1	122.5224	1.680	5	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	120.1160	0.000	1	120.1160	0.000	1	120.2920	0.263	5	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.5720	0.000	1	119.5720	0.000	1	120.2920	0.263	5	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	120.1980	0.000	1	120.5907	0.117	3	120.2920	0.263	5	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	120.7870	0.061	2	120.5907	0.117	3	120.2920	0.263	5	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	119.8697	0.180	3	119.8697	0.032	3	119.8697	0.032	3	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]){1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	120.1899	0.289	10	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	122.0650	0.000	1	123.3265	3.183	2	123.3265	3.183	2	123.3265	3.183	2	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	124.5880	0.000	1	123.3265	3.183	2	123.3265	3.183	2	123.3265	3.183	2	121.4622	3.938	22	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	122.0583	1.240	3	122.0583	1.537	3	121.5225	2.173	4	121.5799	1.106	10	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	119.9150	0.000	1	119.9150	0.000	1	121.5225	2.173	4	121.5799	1.106	10	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	122.4850	0.049	2	121.6182	0.682	6	121.6182	0.682	6	121.5799	1.106	10	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	121.1848	0.620	4	121.6182	0.682	6	121.6182	0.682	6	121.5799	1.106	10	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H){6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	129.4470	0.000	1	129.4470	0.000	1	129.4470	0.000	1	129.4470	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:2:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	126.6020	0.458	3	126.6020	0.209	3	126.6020	0.209	3	126.6020	0.209	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	125.7760	0.000	1	125.7760	0.000	1	125.7760	0.000	1	126.1575	0.079	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	126.2847	0.144	3	126.2847	0.021	3	126.2847	0.021	3	126.1575	0.079	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	125.2730	0.000	1	125.2730	0.000	1	125.2730	0.000	1	124.5675	1.470	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	124.0160	0.137	2	123.8562	0.085	4	124.4264	1.689	5	124.5675	1.470	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	123.6965	0.364	2	123.8562	0.085	4	124.4264	1.689	5	124.5675	1.470	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.7070	0.000	1	126.7070	0.000	1	124.4264	1.689	5	124.5675	1.470	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	125.5090	0.359	2	125.5090	0.129	2	125.5090	0.129	2	125.3617	0.130	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]N[5]CC)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]N[5]CC){6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	125.0670	0.000	1	125.0670	0.000	1	125.0670	0.000	1	125.3617	0.130	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	123.5590	0.000	1	123.5590	0.000	1	123.5590	0.000	1	123.5590	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|N<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.9140	0.000	2	124.9140	0.000	2	124.9140	0.000	2	125.1170	0.124	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]){1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	125.5230	0.000	1	125.5230	0.000	1	125.5230	0.000	1	125.1170	0.124	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]O[5]O)(COO)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]O[5]O)(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	123.7720	1.104	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	123.7720	1.104	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	126.9790	0.000	1	126.9790	0.000	1	126.9790	0.000	1	126.9790	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	3:4:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.2860	0.000	1	129.2860	0.000	1	129.2860	0.000	1	129.2860	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:2:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	128.3220	0.000	1	128.3220	0.000	1	128.3220	0.000	1	128.3220	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	125.8798	1.615	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	126.5455	0.675	2	126.5455	0.456	2	126.4830	0.240	3	125.8798	1.615	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	126.3580	0.000	1	126.3580	0.000	1	126.4830	0.240	3	125.8798	1.615	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.8640	0.000	1	126.8640	0.000	1	127.1225	0.134	2	125.9576	3.467	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.3810	0.000	1	127.3810	0.000	1	127.1225	0.134	2	125.9576	3.467	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5]){2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	123.7680	0.446	3	123.7680	0.199	3	123.7680	0.199	3	125.9576	3.467	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O){1|Br<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	127.7950	0.000	1	127.7950	0.000	1	127.3707	0.326	3	125.9576	3.467	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O){1|Br<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	127.1585	0.617	2	127.1585	0.381	2	127.3707	0.326	3	125.9576	3.467	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	125.4850	0.000	1	125.4850	0.000	1	125.2708	0.709	6	125.3777	0.670	7	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	124.8910	0.000	1	124.8910	0.000	1	125.2708	0.709	6	125.3777	0.670	7	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	126.5830	0.000	1	126.5830	0.000	1	125.2708	0.709	6	125.3777	0.670	7	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H){1|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.3960	0.000	1	125.3960	0.000	1	125.2708	0.709	6	125.3777	0.670	7	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.6350	0.898	2	124.6350	0.806	2	125.2708	0.709	6	125.3777	0.670	7	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:S[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	126.0190	0.000	1	126.0190	0.000	1	126.0190	0.000	1	125.3777	0.670	7	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:S[5]-4:S-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO){1|N<3>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,1|S<4>,2|H<1>}	129.3445	0.067	2	129.3445	0.005	2	129.3445	0.005	2	129.8547	0.377	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.3650	0.294	2	130.3650	0.087	2	130.3650	0.087	2	129.8547	0.377	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	126.9010	0.000	1	126.9010	0.000	1	126.9010	0.000	1	129.1915	10.493	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:S[5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO){1|N<3>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|S<4>}	131.4820	0.000	1	131.4820	0.000	1	131.4820	0.000	1	129.1915	10.493	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]2H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	126.0690	0.000	1	126.0690	0.000	1	126.0690	0.000	1	126.2110	0.040	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:P[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	126.3530	0.000	1	126.3530	0.000	1	126.3530	0.000	1	126.2110	0.040	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.4977	1.050	3	129.4977	1.103	3	129.4977	1.103	3	129.4977	1.103	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	123.0082	4.928	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5]){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	123.0082	4.928	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5]){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	125.4650	0.000	1	125.4650	0.000	1	125.4650	0.000	1	123.0082	4.928	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	123.9205	0.333	2	123.9205	0.111	2	123.9205	0.111	2	123.0082	4.928	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.6950	0.000	1	121.6950	0.000	1	122.3270	0.340	3	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	122.6430	0.283	2	122.6430	0.080	2	122.3270	0.340	3	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,5|C<3>}	120.8310	0.000	1	120.8310	0.000	1	120.8310	0.000	1	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	125.7780	0.000	1	125.7780	0.000	1	125.7780	0.000	1	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	125.7940	0.000	1	124.4380	3.677	2	124.4380	3.677	2	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	123.0820	0.000	1	124.4380	3.677	2	124.4380	3.677	2	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.3440	0.000	1	122.3440	0.000	1	122.0768	1.330	5	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	123.5000	0.000	1	122.0100	1.744	4	122.0768	1.330	5	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.5133	1.066	3	122.0100	1.744	4	122.0768	1.330	5	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	121.9500	1.109	3	121.9500	1.231	3	122.8388	1.476	6	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	123.7277	0.297	3	123.7277	0.088	3	122.8388	1.476	6	122.6291	2.257	20	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	126.3950	0.210	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	126.1120	0.000	1	126.1120	0.000	1	126.5180	0.330	2	126.3950	0.210	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	126.9240	0.000	1	126.9240	0.000	1	126.5180	0.330	2	126.3950	0.210	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	122.6640	0.000	1	122.6640	0.000	1	122.6640	0.000	1	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9660	0.000	1	119.9660	0.000	1	122.1133	3.906	3	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.1870	0.946	2	123.1870	0.895	2	122.1133	3.906	3	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	121.7770	0.000	1	121.7770	0.000	1	122.6420	0.693	3	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.0745	0.514	2	123.0745	0.264	2	122.6420	0.693	3	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.1237	1.341	3	123.1237	1.798	3	123.2958	1.140	6	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.0040	0.450	2	124.0040	0.202	2	123.2958	1.140	6	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<3>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.3960	0.000	1	122.3960	0.000	1	123.2958	1.140	6	122.8235	1.490	13	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	124.2580	0.000	1	124.2580	0.000	1	123.2735	1.938	2	123.2735	1.938	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	122.2890	0.000	1	122.2890	0.000	1	123.2735	1.938	2	123.2735	1.938	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:2:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.0840	0.000	1	121.0840	0.000	1	121.0840	0.000	1	121.0840	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	118.2950	1.140	2	118.2950	1.299	2	118.2950	1.299	2	119.9250	2.644	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	121.2640	0.195	2	121.2640	0.038	2	121.2640	0.038	2	119.9250	2.644	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	119.9250	2.644	5	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Zr<14>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	123.2250	0.000	1	123.2835	0.007	2	123.2835	0.007	2	123.2835	0.007	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Zr<14>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	123.3420	0.000	1	123.2835	0.007	2	123.2835	0.007	2	123.2835	0.007	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	125.8260	2.803	2	125.8260	7.857	2	125.1815	3.396	4	125.1815	3.396	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	124.5370	0.819	2	124.5370	0.670	2	125.1815	3.396	4	125.1815	3.396	4	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	117.2200	0.000	1	117.2200	0.000	1	117.2200	0.000	1	120.7850	9.551	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	122.5675	0.197	2	122.5675	0.039	2	122.5675	0.039	2	120.7850	9.551	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.0195	0.231	2	120.0195	0.053	2	120.0195	0.053	2	124.0595	13.893	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	124.0595	13.893	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	127.8965	0.349	2	127.8965	0.122	2	127.8965	0.122	2	124.0595	13.893	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.3760	0.000	1	122.3760	0.000	1	122.3760	0.000	1	124.0595	13.893	6	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	124.7280	0.404	2	124.7280	0.164	2	124.7280	0.164	2	124.7280	0.164	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3430	0.000	1	122.3430	0.000	1	122.3430	0.000	1	122.3430	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	121.6770	0.000	2	121.6770	0.000	2	121.6770	0.000	2	121.6770	0.000	2	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.3070	0.000	1	122.3070	0.000	1	122.3070	0.000	1	122.2121	0.387	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	122.4395	0.639	2	122.4395	0.408	2	122.4395	0.408	2	122.2121	0.387	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.8320	0.000	1	120.8320	0.000	1	122.1022	0.532	5	122.2121	0.387	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.2785	0.172	2	122.2785	0.030	2	122.1022	0.532	5	122.2121	0.387	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.5610	0.000	2	122.5610	0.000	2	122.1022	0.532	5	122.2121	0.387	8	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C){5|H<1>,6|C<3>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,3|H<1>}	118.2825	0.047	2	118.2825	0.002	2	119.2167	2.619	3	119.2167	2.619	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H){2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	121.0850	0.000	1	121.0850	0.000	1	119.2167	2.619	3	119.2167	2.619	3	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	123.9911	7.667	150	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:2:3:	4:3:3:1:	3:3:3:	C[5,6,6]-4:N[5]-2:C[6a]-3:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	C[6a](C[5]C[5,6,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6,6]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	123.9748	0.488	4	123.9748	0.238	4	123.9748	0.238	4	123.9748	0.238	4	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	123.3880	0.000	1	123.3880	0.000	1	123.3880	0.000	1	123.3880	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	125.1910	0.000	1	125.1910	0.000	1	125.1910	0.000	1	125.1910	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:O[6]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6])	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	123.2330	0.709	2	123.2330	0.502	2	123.2330	0.502	2	123.2330	0.502	2	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	124.5040	0.000	1	124.5040	0.000	1	124.5040	0.000	1	124.5040	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|I<1>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	124.0875	0.110	2	124.0875	0.012	2	124.0875	0.012	2	124.0875	0.012	2	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.0270	0.000	1	126.0270	0.000	1	126.0270	0.000	1	126.0270	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	123.8238	1.141	16	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	125.9540	0.000	1	125.9540	0.000	1	125.9540	0.000	1	121.7722	14.382	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[6a](C[5]C[5,5a]C[5,6])(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	121.7722	14.382	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.5635	0.264	2	118.5635	0.070	2	118.5635	0.070	2	121.7722	14.382	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:4:2:4:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.5870	0.000	1	122.5870	0.000	1	122.5870	0.000	1	121.5675	1.399	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	120.6145	0.745	2	120.6145	0.554	2	121.2277	1.405	3	121.5675	1.399	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	122.4540	0.000	1	122.4540	0.000	1	121.2277	1.405	3	121.5675	1.399	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	123.5790	0.000	1	123.5790	0.000	1	123.5790	0.000	1	123.0310	0.601	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	122.4830	0.000	1	122.4830	0.000	1	122.4830	0.000	1	123.0310	0.601	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:	4:3:4:4:	3:3:3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>,4|C<4>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	125.0850	0.000	1	125.0850	0.000	1	125.0850	0.000	1	125.7470	0.387	3	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	126.0780	0.342	2	126.0780	0.117	2	126.0780	0.117	2	125.7470	0.387	3	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.1500	0.000	1	127.1500	0.000	1	126.7135	0.381	2	126.7135	0.381	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.2770	0.000	1	126.2770	0.000	1	126.7135	0.381	2	126.7135	0.381	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	127.5269	0.820	7	127.5269	0.672	7	127.5269	0.672	7	127.5269	0.672	7	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	127.6040	0.000	1	124.9355	14.242	2	124.9355	14.242	2	124.9355	14.242	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	122.2670	0.000	1	124.9355	14.242	2	124.9355	14.242	2	124.9355	14.242	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	125.8470	0.000	1	125.8470	0.000	1	125.8470	0.000	1	125.8470	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	124.8650	0.000	1	124.8650	0.000	1	126.3015	4.127	2	126.3015	4.127	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	127.7380	0.000	1	127.7380	0.000	1	126.3015	4.127	2	126.3015	4.127	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.9920	0.000	1	126.9920	0.000	1	126.9920	0.000	1	129.1170	9.031	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	131.2420	0.000	1	131.2420	0.000	1	131.2420	0.000	1	129.1170	9.031	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:2:3:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.8810	0.000	1	120.7410	0.039	2	120.7410	0.039	2	120.7410	0.039	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:2:3:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.6010	0.000	1	120.7410	0.039	2	120.7410	0.039	2	120.7410	0.039	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	121.4230	0.000	1	121.4230	0.000	1	121.4230	0.000	1	121.4230	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	120.6113	1.682	3	120.6113	2.829	3	120.6113	2.829	3	120.9087	2.240	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,4|C<3>}	121.8010	0.000	1	121.8010	0.000	1	121.8010	0.000	1	120.9087	2.240	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	116.9220	0.000	1	116.9220	0.000	1	120.3594	3.801	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	121.5900	0.000	1	121.5900	0.000	1	120.3594	3.801	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	121.4250	0.000	1	121.4250	0.000	1	120.3594	3.801	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,5|C<3>}	120.9300	0.298	2	120.9300	0.089	2	120.3594	3.801	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	120.2970	0.373	2	119.7823	0.864	3	120.6106	1.839	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	118.7530	0.000	1	119.7823	0.864	3	120.6106	1.839	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	121.8530	0.694	2	121.8530	0.482	2	120.6106	1.839	5	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	119.9675	0.496	2	119.9675	0.246	2	121.7686	2.622	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	123.0415	0.124	2	123.0415	0.015	2	121.7686	2.622	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	122.0327	1.642	4	122.0327	2.695	4	121.7686	2.622	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N){2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	121.9900	2.029	2	121.9900	4.118	2	121.9562	1.376	6	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O){2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	121.9393	0.959	4	121.9393	0.919	4	121.9562	1.376	6	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	123.0150	0.000	1	123.0150	0.000	1	123.4540	0.385	2	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	123.8930	0.000	1	123.8930	0.000	1	123.4540	0.385	2	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.1710	0.000	1	121.1710	0.000	1	121.1339	1.836	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,4|C<3>}	120.5650	0.000	1	120.5650	0.000	1	121.1339	1.836	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,4|C<3>}	120.3000	0.008	2	120.3000	0.000	2	121.1339	1.836	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	119.0710	0.000	1	119.0710	0.000	1	121.1339	1.836	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	122.9205	0.139	2	122.9205	0.019	2	121.1339	1.836	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	121.8230	0.000	1	121.8230	0.000	1	121.1339	1.836	8	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	124.4520	0.000	1	124.4520	0.000	1	124.4520	0.000	1	121.4483	2.598	36	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	122.3179	0.736	8	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	122.5760	0.000	1	122.3518	0.702	6	122.3518	0.702	6	122.3179	0.736	8	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.4670	0.325	2	122.3518	0.702	6	122.3518	0.702	6	122.3179	0.736	8	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	122.0770	0.000	1	122.3518	0.702	6	122.3518	0.702	6	122.3179	0.736	8	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,5|C<3>}	123.2620	0.240	2	122.3518	0.702	6	122.3518	0.702	6	122.3179	0.736	8	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C){1|O<2>,2|C<4>,5|C<3>}	123.1130	0.000	1	123.1130	0.000	1	123.1130	0.000	1	122.3179	0.736	8	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	125.0420	1.091	3	125.0420	1.191	3	125.0420	1.191	3	125.0420	1.191	3	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	123.6890	0.000	1	123.6890	0.000	1	123.6890	0.000	1	123.6890	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	124.7320	1.229	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.9480	0.000	1	123.9480	0.000	1	123.9480	0.000	1	124.7320	1.229	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,2|H<1>,3|C<4>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.9975	0.156	2	125.9975	0.024	2	125.9975	0.024	2	125.9975	0.024	2	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.4530	0.000	1	119.4530	0.000	1	119.4530	0.000	1	119.4530	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){11|C<3>,1|N<2>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	121.2900	0.000	1	121.6750	0.215	3	121.6750	0.215	3	122.4882	2.332	5	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){12|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	121.8675	0.456	2	121.6750	0.215	3	121.6750	0.215	3	122.4882	2.332	5	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	123.7080	1.984	2	123.7080	3.937	2	123.7080	3.937	2	122.4882	2.332	5	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	127.5490	0.000	1	127.5490	0.000	1	127.5490	0.000	1	127.5490	0.000	1	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>,4|C<4>}	125.0700	0.199	3	125.0700	0.040	3	125.0700	0.040	3	125.0700	0.040	3	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	124.4707	0.310	4	124.4707	0.096	4	124.4707	0.096	4	124.4707	0.096	4	123.0841	6.974	108	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:N-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:2:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	123.5560	0.000	1	123.5560	0.000	1	123.5560	0.000	1	122.3260	3.026	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:2:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	122.3260	3.026	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.0870	0.000	1	121.0870	0.000	1	120.4727	0.288	3	120.4727	0.288	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	120.1655	0.095	2	120.1655	0.009	2	120.4727	0.288	3	120.4727	0.288	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2{1|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	123.7075	0.289	2	123.7075	0.084	2	123.7075	0.084	2	121.6852	1.793	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a])2(H)2	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])2(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	124.5110	0.000	1	124.5110	0.000	1	122.8020	5.841	2	121.6852	1.793	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a])2(H)2	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])2(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	121.0930	0.000	1	121.0930	0.000	1	122.8020	5.841	2	121.6852	1.793	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	122.0980	0.000	1	121.0574	0.308	10	121.0574	0.308	10	121.6852	1.793	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	120.9418	0.443	9	121.0574	0.308	10	121.0574	0.308	10	121.6852	1.793	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	122.1200	0.000	1	122.1200	0.000	1	122.1200	0.000	1	122.6715	0.608	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|H<1>,4|C<3>}	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	122.6715	0.608	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:2:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.8257	0.926	3	121.8257	0.858	3	121.8257	0.858	3	122.3992	1.888	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:2:3:	C[6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	124.1200	0.000	1	124.1200	0.000	1	124.1200	0.000	1	122.3992	1.888	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[4,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	121.6385	1.829	2	121.6385	3.346	2	121.6385	3.346	2	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	120.8660	0.359	2	120.8660	0.129	2	120.8660	0.129	2	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.3500	0.673	2	120.3500	0.453	2	120.6004	0.275	5	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	120.4250	0.000	1	120.4250	0.000	1	120.6004	0.275	5	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|C<3>,2|C<4>,4|F<1>}	120.9385	0.513	2	120.9385	0.263	2	120.6004	0.275	5	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	121.9480	0.000	1	120.9923	0.691	3	120.9923	0.691	3	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	120.5145	0.111	2	120.9923	0.691	3	120.9923	0.691	3	120.9157	0.684	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.5910	0.000	1	120.5910	0.000	1	120.5910	0.000	1	118.8290	6.209	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	118.8290	6.209	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|F<1>,2|C<4>,2|H<1>,3|C<3>}	121.6205	1.722	2	121.6205	2.965	2	121.6205	2.965	2	122.5260	3.942	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:N[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	124.3370	0.000	1	124.3370	0.000	1	124.3370	0.000	1	122.5260	3.942	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	120.5905	0.158	2	120.5905	0.025	2	120.5905	0.025	2	120.5905	0.025	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	123.1160	0.000	1	123.1160	0.000	1	123.1625	0.004	2	121.4147	4.306	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	123.2090	0.000	1	123.2090	0.000	1	123.1625	0.004	2	121.4147	4.306	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	120.2560	0.000	1	120.2560	0.000	1	119.6670	0.694	2	121.4147	4.306	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	119.0780	0.000	1	119.0780	0.000	1	119.6670	0.694	2	121.4147	4.306	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	122.2660	1.178	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Ir<6>,1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2{1|Ir<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	122.2350	0.000	1	122.2350	0.000	1	121.8650	0.802	3	122.2660	1.178	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	122.5160	0.000	1	122.5160	0.000	1	121.8650	0.802	3	122.2660	1.178	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	120.8440	0.000	1	120.8440	0.000	1	121.8650	0.802	3	122.2660	1.178	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2{1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5])	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2{2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.8970	0.000	1	123.8970	0.000	1	123.8970	0.000	1	123.8970	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:2:2:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	124.3520	0.000	1	124.3520	0.000	1	124.2518	0.045	4	124.2518	0.045	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:2:2:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	124.2183	0.247	3	124.2183	0.061	3	124.2518	0.045	4	124.2518	0.045	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:2:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5])	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5]){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	B[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5])	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,4|H<1>}	125.8780	0.268	4	125.8780	0.072	4	125.8780	0.072	4	125.0749	2.441	11	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	125.4590	0.442	4	125.4590	0.195	4	125.6126	0.264	5	125.0749	2.441	11	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	126.2270	0.000	1	126.2270	0.000	1	125.6126	0.264	5	125.0749	2.441	11	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.1245	1.303	2	122.1245	1.698	2	122.1245	1.698	2	125.0749	2.441	11	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-3:N-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,3|N<3>}	125.0150	0.000	1	125.0150	0.000	1	125.0150	0.000	1	125.0150	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:3:2:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-3:C-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5])	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.6250	0.000	1	123.6250	0.000	1	123.6250	0.000	1	123.6250	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	126.6150	0.000	1	126.6150	0.000	1	126.6150	0.000	1	127.2565	0.823	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	127.8980	0.000	1	127.8980	0.000	1	127.8980	0.000	1	127.2565	0.823	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:2:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:S-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a]){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	127.0150	0.396	2	127.0150	0.157	2	127.0150	0.157	2	127.0150	0.157	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.0490	0.000	1	126.0490	0.000	1	126.0490	0.000	1	126.0490	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.1873	1.029	3	129.1873	1.059	3	128.3420	1.421	6	128.3420	1.421	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.8590	0.000	1	126.8590	0.000	1	128.3420	1.421	6	128.3420	1.421	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	127.6030	0.000	1	127.6030	0.000	1	128.3420	1.421	6	128.3420	1.421	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.0280	0.000	1	128.0280	0.000	1	128.3420	1.421	6	128.3420	1.421	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5])	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5]){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2{4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.5113	0.213	4	122.5113	0.045	4	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.3530	0.000	1	122.3530	0.000	1	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	121.6160	0.000	1	121.8895	0.150	2	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.1630	0.000	1	121.8895	0.150	2	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.9493	0.291	7	122.9137	0.071	12	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	123.0160	0.000	1	122.9137	0.071	12	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.5110	0.000	1	122.9137	0.071	12	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	122.9430	0.000	1	122.9137	0.071	12	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.9245	0.298	2	122.9137	0.071	12	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.6605	1.191	2	124.6850	0.739	4	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.7095	0.892	2	124.6850	0.739	4	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.3065	0.636	2	124.0873	0.418	6	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.9810	0.000	1	124.0873	0.418	6	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.6433	0.316	3	124.0873	0.418	6	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.3120	0.000	1	124.3120	0.000	1	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.3870	0.078	2	124.3870	0.006	2	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CC)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CC)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.3380	0.000	1	124.3380	0.000	1	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.9860	0.000	1	125.9860	0.000	1	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.2448	0.717	9	125.2714	0.481	11	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	125.9660	0.000	1	125.2714	0.481	11	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.8160	0.000	1	125.2714	0.481	11	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CS)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CS)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.9270	0.000	1	124.9270	0.000	1	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|Cl<1>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	128.8850	0.000	1	128.8850	0.000	1	124.0343	2.036	47	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	123.0350	0.000	1	123.0350	0.000	1	123.4510	0.346	2	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.8670	0.000	1	123.8670	0.000	1	123.4510	0.346	2	124.0105	1.972	49	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H){2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.9460	0.000	1	125.9460	0.000	1	125.9460	0.000	1	124.8076	2.258	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	122.5770	0.000	1	122.5770	0.000	1	124.6178	2.407	6	124.8076	2.258	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CC[6a]O)(H){2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	123.3120	0.000	1	123.3120	0.000	1	124.6178	2.407	6	124.8076	2.258	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H){2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.5305	1.365	2	125.5305	1.864	2	124.6178	2.407	6	124.8076	2.258	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H){2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.3785	1.216	2	125.3785	1.477	2	124.6178	2.407	6	124.8076	2.258	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:3:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.4075	0.711	2	129.4075	0.505	2	129.4075	0.505	2	129.4075	0.505	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H){2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	126.6540	0.000	1	126.6540	0.000	1	126.2197	0.209	3	125.9515	0.427	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H){2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	126.0025	0.367	2	126.0025	0.135	2	126.2197	0.209	3	125.9515	0.427	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:P-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	125.1470	0.000	1	125.1470	0.000	1	125.1470	0.000	1	125.9515	0.427	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	127.2040	1.728	2	127.6856	0.978	5	127.8743	0.479	12	127.8743	0.479	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	128.0990	0.315	2	127.6856	0.978	5	127.8743	0.479	12	127.8743	0.479	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	127.8220	0.000	1	127.6856	0.978	5	127.8743	0.479	12	127.8743	0.479	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	127.8640	0.000	1	127.8640	0.000	1	127.8743	0.479	12	127.8743	0.479	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	128.0160	0.504	5	128.0160	0.254	5	127.8743	0.479	12	127.8743	0.479	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2{2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	128.1190	0.000	1	128.1190	0.000	1	127.8743	0.479	12	127.8743	0.479	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.8776	0.420	5	124.8776	0.176	5	124.8776	0.176	5	124.8776	0.176	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5]){3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2{6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	123.7680	0.000	1	123.7680	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<2>,1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	123.4405	0.248	2	123.0018	0.396	4	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.5630	0.597	2	123.0018	0.396	4	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.7630	0.173	2	124.7630	0.030	2	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	129.2520	0.000	1	129.2520	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	128.0380	0.000	1	128.0380	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.5460	0.000	1	124.3798	0.351	12	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.1327	0.497	3	124.3798	0.351	12	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.3266	0.507	8	124.3798	0.351	12	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,5|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.8580	0.000	1	124.8580	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.2975	0.199	2	124.8120	0.814	3	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.8410	0.000	1	124.8120	0.814	3	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	126.3520	0.000	1	126.3520	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]F)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|F<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|N<3>,2|F<1>,2|H<1>}	126.0752	0.649	5	126.0752	0.421	5	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.5240	0.000	1	124.5240	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	124.3130	0.000	1	124.9592	2.713	5	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.1208	1.856	4	124.9592	2.713	5	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0325	1.360	4	123.0325	1.850	4	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.6120	0.000	1	125.1090	0.545	102	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.4640	0.000	1	125.1090	0.545	102	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.1249	0.744	99	125.1090	0.545	102	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	124.6730	0.000	1	125.1090	0.545	102	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	127.6970	0.000	1	128.4308	0.248	5	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	128.6142	0.327	4	128.4308	0.248	5	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	123.8120	0.470	2	123.8120	0.220	2	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.8960	0.580	4	124.8960	0.336	4	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.9960	0.000	1	124.9960	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2{1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.4830	0.000	1	125.4830	0.000	1	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.7030	0.000	1	125.0140	0.193	2	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.3250	0.000	1	125.0140	0.193	2	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.4688	0.797	5	125.4688	0.636	5	125.0978	1.361	163	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	125.8700	0.000	1	125.8700	0.000	1	125.8700	0.000	1	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[3]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3]N[5]C)(C[5]C[6a]N[5])(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.2190	1.028	2	125.2190	1.057	2	124.8009	2.036	11	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.9040	0.000	1	123.9040	0.000	1	124.8009	2.036	11	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.8905	2.085	2	123.8905	4.348	2	124.8009	2.036	11	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.8107	0.528	4	124.8107	0.278	4	124.8009	2.036	11	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.5300	0.000	1	123.5300	0.000	1	124.8009	2.036	11	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.9140	0.000	1	127.9140	0.000	1	124.8009	2.036	11	125.0836	1.393	175	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H){2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.5550	0.000	1	123.5550	0.000	1	123.5550	0.000	1	125.0610	4.536	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:C[5]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5])	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	125.0610	4.536	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:	4:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2{4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	128.1390	0.000	1	128.1390	0.000	1	128.1390	0.000	1	128.1390	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.3810	0.000	1	122.3810	0.000	1	122.4590	0.140	7	121.8635	2.957	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	122.0280	0.000	1	122.4720	0.166	6	122.4590	0.140	7	121.8635	2.957	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|O<2>,4|H<1>}	122.5608	0.386	5	122.4720	0.166	6	122.4590	0.140	7	121.8635	2.957	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	121.8635	2.957	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,2|C<2>,3|H<1>}	122.9915	0.368	4	122.9915	0.135	4	122.9915	0.135	4	122.9915	0.135	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	125.4560	0.000	1	125.4560	0.000	1	124.9977	0.161	3	124.9977	0.161	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.7685	0.087	2	124.7685	0.008	2	124.9977	0.161	3	124.9977	0.161	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:4:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.8090	0.000	1	122.8090	0.000	1	122.8090	0.000	1	122.8090	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.1795	0.626	2	123.1795	0.392	2	124.0190	2.310	3	124.0190	2.310	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.6980	0.000	1	125.6980	0.000	1	124.0190	2.310	3	124.0190	2.310	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){1|P<3>,4|H<1>,7|C<3>}	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	124.0570	0.000	1	123.0210	2.147	2	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	121.9850	0.000	1	123.0210	2.147	2	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	123.8240	0.000	1	123.8240	0.000	1	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	124.1640	0.000	1	124.1640	0.000	1	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|F<1>,3|C<3>,3|H<1>}	124.3035	0.279	4	124.3035	0.078	4	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	125.4958	0.829	9	125.2276	0.907	11	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	124.0210	0.143	2	125.2276	0.907	11	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	122.8780	0.000	1	122.8780	0.000	1	124.5813	1.309	20	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	123.8817	3.700	24	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|Se<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	123.1590	0.000	1	123.1590	0.000	1	122.4355	1.047	2	122.9648	1.737	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|P<4>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	121.7120	0.000	1	121.7120	0.000	1	122.4355	1.047	2	122.9648	1.737	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	122.9648	1.737	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	123.6900	2.172	2	123.6900	4.719	2	123.6900	4.719	2	122.9648	1.737	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	122.9648	1.737	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	123.2810	0.618	2	123.2810	0.382	2	123.2810	0.382	2	123.2810	0.382	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)2{1|C<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	114.5110	0.000	1	114.5110	0.000	1	119.1745	43.496	2	119.1745	43.496	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.8380	0.000	1	123.8380	0.000	1	119.1745	43.496	2	119.1745	43.496	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	Si[5]-3:C[5]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<3>,1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	116.7360	0.444	2	116.7360	0.197	2	116.7360	0.197	2	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	124.3730	0.000	1	124.3730	0.000	1	123.7335	0.818	2	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.0940	0.000	1	123.0940	0.000	1	123.7335	0.818	2	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|C<3>,4|H<1>}	124.7730	0.000	1	124.7730	0.000	1	124.7730	0.000	1	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.8800	0.000	1	118.8800	0.000	1	123.2047	14.166	3	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	125.3670	0.528	2	125.3670	0.278	2	123.2047	14.166	3	121.6853	13.323	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	124.9610	0.000	1	124.9610	0.000	1	124.7110	0.125	2	124.7110	0.125	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.4610	0.000	1	124.4610	0.000	1	124.7110	0.125	2	124.7110	0.125	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	125.5490	0.093	2	125.5490	0.009	2	125.5490	0.009	2	125.5490	0.009	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	120.4520	0.000	1	120.4520	0.000	1	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	122.8450	0.503	2	122.8450	0.253	2	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	120.4240	0.000	1	120.6910	0.143	2	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	120.9580	0.000	1	120.6910	0.143	2	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	121.1640	0.000	1	121.1640	0.000	1	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	122.7330	0.000	1	123.0000	0.565	4	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<3>,5|H<1>}	122.0560	0.000	1	123.0000	0.565	4	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	123.6055	0.008	2	123.0000	0.565	4	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.1970	0.000	1	119.1970	0.000	1	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.5360	0.000	1	120.6879	0.480	7	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.7560	0.000	1	120.6879	0.480	7	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|S<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.6680	0.000	1	120.6879	0.480	7	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.9638	0.643	4	120.6879	0.480	7	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.1550	0.000	1	121.1550	0.000	1	121.3608	1.654	19	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	121.4040	0.000	1	121.4040	0.000	1	126.2905	11.181	6	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	127.8070	0.000	1	127.8070	0.000	1	126.2905	11.181	6	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	130.5560	0.000	1	130.5560	0.000	1	126.2905	11.181	6	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.4030	0.000	1	124.4030	0.000	1	126.2905	11.181	6	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.8530	0.000	1	124.8530	0.000	1	126.2905	11.181	6	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Rh<8>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	128.7200	0.000	1	128.7200	0.000	1	126.2905	11.181	6	122.4637	8.027	26	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	123.5370	0.000	1	123.5370	0.000	1	123.5370	0.000	1	123.2990	0.113	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	123.2990	0.113	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	123.8325	0.924	2	123.0154	0.505	11	123.0127	0.459	12	123.0127	0.459	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	122.8338	0.566	9	123.0154	0.505	11	123.0127	0.459	12	123.0127	0.459	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	122.9840	0.000	1	122.9840	0.000	1	123.0127	0.459	12	123.0127	0.459	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:2:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.2750	0.547	2	123.2750	0.300	2	123.2750	0.300	2	123.2750	0.300	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|O<2>,2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	122.1590	0.414	2	122.1590	0.172	2	121.8603	0.353	3	121.8603	0.353	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){3|H<1>,3|O<2>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	121.2630	0.000	1	121.2630	0.000	1	121.8603	0.353	3	121.8603	0.353	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	123.2125	0.388	2	123.2125	0.151	2	123.2053	0.076	3	123.2053	0.076	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	123.1910	0.000	1	123.1910	0.000	1	123.2053	0.076	3	123.2053	0.076	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	125.8060	3.425	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.8580	0.458	2	126.8580	0.210	2	126.8580	0.210	2	125.8060	3.425	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:Si-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]F)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]F)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>,2|F<1>}	122.1625	0.371	2	122.1625	0.138	2	122.1625	0.138	2	121.8889	2.255	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	120.9760	0.302	4	120.9760	0.091	4	121.7794	3.296	5	121.8889	2.255	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	124.9930	0.000	1	124.9930	0.000	1	121.7794	3.296	5	121.8889	2.255	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|C<3>,2|C<4>,3|O<2>}	118.4090	0.000	1	118.4090	0.000	1	118.4090	0.000	1	118.4090	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,3|H<1>,4|C<4>}	120.2250	0.000	1	120.2250	0.000	1	122.3800	5.326	3	124.5353	10.016	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	123.4575	1.920	2	123.4575	3.686	2	122.3800	5.326	3	124.5353	10.016	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	121.0397	0.347	3	121.0397	0.121	3	125.2538	10.118	9	124.5353	10.016	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	126.9520	0.000	1	127.3608	0.157	6	125.2538	10.118	9	124.5353	10.016	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	127.6340	0.000	1	127.3608	0.157	6	125.2538	10.118	9	124.5353	10.016	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	127.3948	0.424	4	127.3608	0.157	6	125.2538	10.118	9	124.5353	10.016	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2{8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	118.2490	0.000	1	118.2490	0.000	1	119.0567	0.640	3	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	119.0720	0.000	1	119.0720	0.000	1	119.0567	0.640	3	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	119.8490	0.000	1	119.8490	0.000	1	119.0567	0.640	3	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H){1|Cr<9>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){2|C<4>,5|C<3>,5|H<1>}	125.1960	0.000	1	125.1960	0.000	1	125.1960	0.000	1	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	122.8815	1.432	4	122.8815	2.052	4	122.9040	1.176	7	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.9340	0.670	3	122.9340	0.449	3	122.9040	1.176	7	122.0373	4.573	12	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	119.7240	0.000	1	119.7240	0.000	1	120.6827	3.095	3	120.6827	3.095	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N){2|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2{1|N<3>,2|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	121.1620	2.193	2	121.1620	4.811	2	120.6827	3.095	3	120.6827	3.095	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2)	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2){1|N<3>,5|H<1>,7|C<3>}	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|F<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,3|H<1>}	122.5500	1.254	2	122.5500	1.574	2	122.5500	1.574	2	122.5500	1.574	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	121.0310	0.000	1	121.0310	0.000	1	122.2335	2.892	2	122.2335	2.892	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:	4:3:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.4360	0.000	1	123.4360	0.000	1	122.2335	2.892	2	122.2335	2.892	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	115.1840	2.662	2	115.1840	7.084	2	115.1840	7.084	2	115.1840	7.084	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:2:3:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-2:C[6a]-3:	C[5,5,6]-4:C[5]-3:Br-1:Br-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5,6]Br2)(N[5]C[5,5,6])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[6a]N[5])(Br)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]Br2)(N[5]C[5,5,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[6a]N[5])(Br)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	126.0395	0.226	2	126.0395	0.051	2	126.0395	0.051	2	126.0395	0.051	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.5570	0.000	1	122.5570	0.000	1	124.2130	5.485	2	124.2130	5.485	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5])	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5]){2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	125.8690	0.000	1	125.8690	0.000	1	124.2130	5.485	2	124.2130	5.485	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:2:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	127.3330	0.000	1	127.3330	0.000	1	126.0283	0.556	7	125.9341	0.720	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:2:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	125.8108	0.519	6	125.8108	0.269	6	126.0283	0.556	7	125.9341	0.720	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:2:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	125.6045	1.464	2	125.6045	2.145	2	125.6045	2.145	2	125.9341	0.720	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|C<3>,3|H<1>}	125.2150	0.000	1	125.2150	0.000	1	125.2150	0.000	1	127.3287	24.978	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	127.3287	24.978	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H){8|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	133.0360	0.000	1	133.0360	0.000	1	133.0360	0.000	1	127.3287	24.978	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	126.7660	7.494	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	128.9090	0.000	1	128.3080	0.722	2	128.3080	0.722	2	126.7660	7.494	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	127.7070	0.000	1	128.3080	0.722	2	128.3080	0.722	2	126.7660	7.494	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	123.9650	0.000	1	123.9650	0.000	1	123.9650	0.000	1	124.7447	0.491	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(N[5]S[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(N[5]S[5]){2|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	125.1345	0.265	2	125.1345	0.070	2	125.1345	0.070	2	124.7447	0.491	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	126.1310	0.000	1	126.1310	0.000	1	126.1310	0.000	1	126.1310	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	128.3300	0.000	1	128.3300	0.000	1	128.3300	0.000	1	125.3608	3.126	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	122.9100	0.000	1	122.9100	0.000	1	124.7670	1.263	5	125.3608	3.126	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.1085	0.825	2	125.1085	0.681	2	124.7670	1.263	5	125.3608	3.126	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.3540	0.010	2	125.3540	0.000	2	124.7670	1.263	5	125.3608	3.126	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.5450	0.000	1	124.5450	0.000	1	124.5450	0.000	1	124.5450	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	125.7580	0.000	1	125.7580	0.000	1	124.7975	1.845	2	124.7975	1.845	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	123.8370	0.000	1	123.8370	0.000	1	124.7975	1.845	2	124.7975	1.845	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5,5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	123.8510	0.000	1	123.8510	0.000	1	123.8510	0.000	1	123.8510	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:Cl-1:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(Cl)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(Cl)2{2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	124.9040	0.397	2	124.9040	0.158	2	124.9040	0.158	2	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.5857	0.273	3	122.5857	0.075	3	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.0010	0.000	1	122.3070	0.187	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|N<2>,2|O<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	122.6130	0.000	1	122.3070	0.187	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.2290	0.000	1	124.2290	0.000	1	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2{1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	126.2330	0.000	1	124.9880	3.100	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.7430	0.000	1	124.9880	3.100	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.1510	0.000	1	125.1245	0.001	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.0980	0.000	1	125.1245	0.001	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.2400	0.000	1	124.3815	0.040	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.5230	0.000	1	124.3815	0.040	2	123.7990	1.777	12	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	123.4690	0.000	1	123.4690	0.000	1	124.0916	0.260	8	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.0053	0.380	3	124.0053	0.144	3	124.0916	0.260	8	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.4260	0.000	1	124.4260	0.000	1	124.0916	0.260	8	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.5730	0.000	1	124.5730	0.000	1	124.0916	0.260	8	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.5020	0.000	1	123.5020	0.000	1	124.0916	0.260	8	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(H)2{1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.7470	0.000	1	124.7470	0.000	1	124.0916	0.260	8	124.0059	1.129	22	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5])	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H){1|N<3>,3|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	123.6245	0.566	2	123.6245	0.321	2	123.6245	0.321	2	123.6245	0.321	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.4463	0.862	3	124.4463	0.743	3	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	127.5560	0.000	1	125.4717	3.426	3	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.0200	0.000	1	125.4717	3.426	3	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.8390	0.000	1	125.4717	3.426	3	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.5670	0.000	1	123.5670	0.000	1	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	126.0420	0.000	1	125.7143	1.113	4	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.6050	1.264	3	125.7143	1.113	4	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.0520	0.000	1	125.0520	0.000	1	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.6850	0.000	1	124.6850	0.000	1	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|S<2>,5|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.8600	0.000	1	125.8600	0.000	1	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.4367	0.709	3	125.4367	0.503	3	125.1815	1.201	17	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	123.8320	0.000	1	123.8320	0.000	1	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.7100	0.000	1	124.7100	0.000	1	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.2235	1.189	2	125.0888	0.499	4	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.8760	0.000	1	125.0888	0.499	4	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.0320	0.000	1	125.0888	0.499	4	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.6550	0.000	1	124.6550	0.000	1	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.1703	0.684	3	124.5988	1.563	5	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.2415	1.985	2	124.5988	1.563	5	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.8050	0.000	1	125.0295	0.329	12	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.9810	0.304	2	125.0295	0.329	12	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.9683	0.727	6	125.0295	0.329	12	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.2590	0.566	3	125.0295	0.329	12	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	127.3200	0.000	1	127.3200	0.000	1	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.7250	0.000	1	123.7250	0.000	1	124.9210	0.825	26	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.9800	0.000	1	124.9800	0.000	1	124.9800	0.000	1	125.0230	0.943	44	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5]){1|Ni<6>,4|H<1>,5|C<3>}	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN){1|Ni<6>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	125.7730	0.495	2	125.7730	0.245	2	125.7730	0.245	2	125.7730	0.245	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[4,5]-4:C[5]-3:S-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	124.0440	2.111	2	124.0440	4.458	2	124.0440	4.458	2	124.0440	4.458	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:	4:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	127.0920	0.000	1	127.0920	0.000	1	127.0920	0.000	1	127.0920	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Br<1>,3|C<3>,3|H<1>}	122.3180	0.000	1	122.3180	0.000	1	122.3180	0.000	1	121.6040	8.143	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	120.7570	0.000	1	120.7570	0.000	1	121.5148	9.224	8	121.6040	8.143	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|F<1>,2|H<1>}	121.5590	0.064	2	121.5590	0.004	2	121.5148	9.224	8	121.6040	8.143	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	122.8640	0.000	1	122.8640	0.000	1	121.5148	9.224	8	121.6040	8.143	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	123.5823	0.992	3	123.5823	0.985	3	121.5148	9.224	8	121.6040	8.143	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|P<4>,3|C<3>,4|H<1>}	114.6320	0.000	1	114.6320	0.000	1	121.5148	9.224	8	121.6040	8.143	9	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.0250	1.646	2	120.0250	2.710	2	120.0250	2.710	2	121.3994	3.539	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	121.3994	3.539	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.5930	0.000	1	120.5930	0.000	1	122.1805	5.040	2	121.3994	3.539	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	123.7680	0.000	1	123.7680	0.000	1	122.1805	5.040	2	121.3994	3.539	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|O<2>,4|C<3>}	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	120.7330	0.993	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.2650	0.820	2	120.2650	0.673	2	120.2650	0.673	2	120.7330	0.993	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	123.5880	0.000	1	123.5880	0.000	1	123.5880	0.000	1	124.5263	0.968	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	124.4410	0.000	1	124.9955	0.615	2	124.9955	0.615	2	124.5263	0.968	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	125.5500	0.000	1	124.9955	0.615	2	124.9955	0.615	2	124.5263	0.968	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.3310	0.000	1	121.3310	0.000	1	121.2157	1.045	4	121.2157	1.045	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.8195	1.532	2	121.1773	1.558	3	121.2157	1.045	4	121.2157	1.045	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.8930	0.000	1	121.1773	1.558	3	121.2157	1.045	4	121.2157	1.045	4	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|B<3>,1|C<4>,1|H<1>,2|F<1>,3|C<3>}	119.9070	0.880	2	119.9070	0.774	2	120.7891	2.368	7	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	121.1420	1.678	5	121.1420	2.815	5	120.7891	2.368	7	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	123.6700	0.000	1	123.6700	0.000	1	123.6700	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|I<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|I<1>,3|H<1>,4|C<3>}	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	121.6208	0.357	4	121.6208	0.127	4	121.6208	0.127	4	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	124.5090	0.000	1	124.5090	0.000	1	124.5090	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	121.5711	2.579	18	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.9770	0.000	1	120.9770	0.000	1	122.2685	3.336	2	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	123.5600	0.000	1	123.5600	0.000	1	122.2685	3.336	2	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|H<1>,4|C<3>}	125.2090	0.000	1	125.2090	0.000	1	125.2090	0.000	1	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,5|C<3>}	121.7485	0.234	2	121.7485	0.055	2	122.2933	0.628	4	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,5|C<3>}	122.8380	0.800	2	122.8380	0.641	2	122.2933	0.628	4	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.4370	1.220	2	121.4370	1.490	2	121.4370	1.490	2	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|H<1>,4|C<3>}	126.3690	0.000	1	126.3690	0.000	1	126.3690	0.000	1	122.8162	3.395	10	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	122.9610	3.048	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,6|C<3>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	122.9610	3.048	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	124.8710	0.000	1	124.8710	0.000	1	124.8710	0.000	1	122.9610	3.048	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S){5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	122.9610	3.048	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Os<6>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Os<6>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	123.5750	0.000	1	123.5750	0.000	1	123.5750	0.000	1	122.9610	3.048	5	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,1|C<4>,2|H<1>,3|C<3>}	121.7354	0.575	5	121.7354	0.331	5	121.7354	0.331	5	121.9400	2.064	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	121.9400	2.064	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	120.2360	0.000	1	120.2360	0.000	1	122.6565	11.718	2	121.9400	2.064	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	125.0770	0.000	1	125.0770	0.000	1	122.6565	11.718	2	121.9400	2.064	8	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5,5]-3:C[5]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|B<3>,5|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,2|B<3>,2|F<1>}	118.5780	0.000	1	118.5780	0.000	1	118.5780	0.000	1	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|H<1>,4|C<3>}	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	122.5260	0.000	1	122.5260	0.000	1	122.5260	0.000	1	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	118.8790	0.000	1	118.8790	0.000	1	120.7248	1.240	5	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	120.4660	0.000	1	120.9860	0.541	2	120.7248	1.240	5	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	121.5060	0.000	1	120.9860	0.541	2	120.7248	1.240	5	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	121.3840	0.000	1	121.3840	0.000	1	120.7248	1.240	5	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	121.3890	0.000	1	121.3890	0.000	1	120.7248	1.240	5	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	123.8815	0.753	2	123.8815	0.567	2	123.8815	0.567	2	121.8875	3.411	13	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	123.4967	3.794	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.4925	0.416	2	121.4925	0.173	2	121.9520	0.720	3	123.4967	3.794	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.8710	0.000	1	122.8710	0.000	1	121.9520	0.720	3	123.4967	3.794	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	125.6020	1.151	2	125.6020	1.325	2	125.6020	1.325	2	123.4967	3.794	6	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.5260	0.000	1	121.5260	0.000	1	121.5260	0.000	1	123.2080	5.658	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B){1|C<2>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2{1|B<3>,1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|Si<4>,2|B<3>,2|C<3>,2|F<1>}	124.8900	0.000	1	124.8900	0.000	1	124.8900	0.000	1	123.2080	5.658	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	122.7157	2.071	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	121.9960	1.017	2	121.9960	1.034	2	121.9960	1.034	2	122.7157	2.071	3	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	122.9990	0.000	1	121.7545	3.098	2	121.7545	3.098	2	121.7545	3.098	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	120.5100	0.000	1	121.7545	3.098	2	121.7545	3.098	2	121.7545	3.098	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.7360	0.000	1	119.7360	0.000	1	119.7360	0.000	1	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	121.1410	0.000	1	121.1410	0.000	1	122.2370	0.753	4	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	122.1450	0.000	1	122.6023	0.329	3	122.2370	0.753	4	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	122.8310	0.587	2	122.6023	0.329	3	122.2370	0.753	4	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	123.1450	0.000	1	123.3480	0.082	2	122.7457	1.130	3	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	123.5510	0.000	1	123.3480	0.082	2	122.7457	1.130	3	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	121.5410	0.000	1	121.5410	0.000	1	122.7457	1.130	3	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	121.2115	0.616	2	121.2115	0.379	2	120.8776	3.272	5	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2{1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	123.5230	0.000	1	123.5230	0.000	1	120.8776	3.272	5	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|Si<4>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	119.2210	0.018	2	119.2210	0.000	2	120.8776	3.272	5	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.1820	0.000	1	124.1820	0.000	1	124.1820	0.000	1	121.8208	2.711	14	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[4,5,5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2{1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	120.6565	0.445	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	120.6565	0.445	2	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	120.4210	0.870	3	120.4210	0.756	3	120.4210	0.756	3	123.0223	17.220	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	122.8285	0.197	2	122.8285	0.039	2	122.8285	0.039	2	123.0223	17.220	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	123.0223	17.220	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:S[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(S[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5]H)(S[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	132.0090	0.000	1	132.0090	0.000	1	132.0090	0.000	1	123.0223	17.220	7	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	0:SP2_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	123.8179	5.597	728	123.7127	6.095	1096
818	474	643	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){4|Cl<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,2|C<3>,7|C<4>}	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2){3|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2){3|Cl<1>,4|C<3>,5|C<4>}	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:2:	3:4:4:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:N[5]-2:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5])	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	116.5788	2.538	5	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	115.4440	0.321	2	115.4440	0.103	2	115.4440	0.103	2	115.4440	0.103	2	116.5788	2.538	5	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5])	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	116.3565	0.091	2	116.3565	0.008	2	116.3565	0.008	2	116.3565	0.008	2	116.5788	2.538	5	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.6000	0.530	4	117.6812	0.244	5	117.7880	0.263	6	117.7880	0.263	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	118.0060	0.000	1	117.6812	0.244	5	117.7880	0.263	6	117.7880	0.263	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.3220	0.000	1	118.3220	0.000	1	117.7880	0.263	6	117.7880	0.263	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3){6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	118.0127	0.735	4	118.0127	0.541	4	118.0127	0.541	4	118.0127	0.541	4	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.6787	0.330	3	120.6787	0.109	3	119.5901	0.783	11	119.5125	0.784	12	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.4200	0.000	1	119.1214	0.420	7	119.5901	0.783	11	119.5125	0.784	12	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.0717	0.695	6	119.1214	0.420	7	119.5901	0.783	11	119.5125	0.784	12	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.6050	0.000	1	119.6050	0.000	1	119.5901	0.783	11	119.5125	0.784	12	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6a,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.6590	0.000	1	118.6590	0.000	1	118.6590	0.000	1	119.5125	0.784	12	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	119.2960	0.000	1	119.2960	0.000	1	118.4600	0.328	4	118.9143	0.702	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.1020	0.000	1	118.1813	0.027	3	118.4600	0.328	4	118.9143	0.702	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.2210	0.209	2	118.1813	0.027	3	118.4600	0.328	4	118.9143	0.702	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	119.8230	0.222	2	119.8230	0.049	2	119.8230	0.049	2	118.9143	0.702	6	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.3470	0.000	1	121.3470	0.000	1	119.4987	2.572	3	119.4987	2.572	3	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	118.6740	0.000	1	118.5745	0.020	2	119.4987	2.572	3	119.4987	2.572	3	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.4750	0.000	1	118.5745	0.020	2	119.4987	2.572	3	119.4987	2.572	3	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	116.6170	0.772	2	116.6170	0.596	2	116.6170	0.596	2	116.6170	0.596	2	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.9290	0.000	1	116.9290	0.000	1	116.9290	0.000	1	116.9290	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|O<2>}	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.9390	0.000	1	116.9390	0.000	1	116.9390	0.000	1	116.9390	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	114.3560	0.000	1	114.7466	0.377	5	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	113.9180	0.000	1	114.7466	0.377	5	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	115.2850	0.266	2	114.7466	0.377	5	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	114.8890	0.000	1	114.7466	0.377	5	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	114.7390	0.000	1	114.5500	0.194	3	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	114.0460	0.000	1	114.5500	0.194	3	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	114.8650	0.000	1	114.5500	0.194	3	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	115.8680	0.000	1	115.8680	0.000	1	114.8057	0.405	9	114.8057	0.405	9	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	118.6790	0.000	1	118.6790	0.000	1	118.4602	3.590	6	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	119.5100	0.000	1	119.5100	0.000	1	118.4602	3.590	6	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	118.9070	0.000	1	118.9070	0.000	1	118.4602	3.590	6	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	115.8510	0.000	1	115.8510	0.000	1	118.4602	3.590	6	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.0740	0.000	1	121.0740	0.000	1	118.4602	3.590	6	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.7400	0.000	1	116.7400	0.000	1	118.4602	3.590	6	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<4>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.6140	0.432	4	115.6140	0.187	4	115.6140	0.187	4	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	117.8018	6.331	11	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	117.5930	0.232	2	117.5930	0.054	2	117.5187	0.043	3	117.5187	0.043	3	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.5187	0.043	3	117.5187	0.043	3	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	115.9460	0.000	1	115.9460	0.000	1	115.9460	0.000	1	115.9460	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	117.7290	0.000	1	117.7290	0.000	1	117.7290	0.000	1	117.7290	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	115.0190	0.000	1	115.0190	0.000	1	115.0190	0.000	1	115.0190	0.000	1	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.6940	0.000	1	115.9200	0.102	2	115.9200	0.102	2	115.9200	0.102	2	117.6653	3.751	68	117.7676	4.771	75
818	474	643	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	116.1460	0.000	1	115.9200	0.102	2	115.9200	0.102	2	115.9200	0.102	2	117.6653	3.751	68	117.7676	4.771	75
818	474	670	0:SP2_SP2_SP3	C[5]	C[5]	Ge	3:4:3:	4:3:4:4:	3:1:1:	N[5]-3:C[5]-4:Ge-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2)	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	Ge(C[5]C[5]N[5])(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	Ge(C[5]C[5]N[5])(Cl)2	133.5245	0.388	2	133.5245	0.151	2	133.5245	0.151	2	133.5245	0.151	2	133.5245	0.151	2	133.5245	0.151	2
818	474	727	0:SP2_SP2_SP2	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	120.1373	0.990	3	120.1373	0.980	3	120.1373	0.980	3	120.1373	0.980	3	120.1373	0.980	3	120.1373	0.980	3
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	136.4810	0.000	1	136.4810	0.000	1	134.2047	4.289	3	134.2047	4.289	3	134.2047	4.289	3	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	133.0665	0.897	2	133.0665	0.805	2	134.2047	4.289	3	134.2047	4.289	3	134.2047	4.289	3	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	143.3390	0.000	1	143.3390	0.000	1	143.3390	0.000	1	143.3390	0.000	1	139.3651	5.376	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	137.6720	0.000	1	137.6720	0.000	1	137.6720	0.000	1	137.6720	0.000	1	139.3651	5.376	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	139.2855	0.914	2	139.2855	0.836	2	139.2855	0.836	2	139.2855	0.836	2	139.3651	5.376	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	137.2995	0.419	2	137.2995	0.176	2	137.2995	0.176	2	137.2995	0.176	2	139.3651	5.376	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	141.3750	0.000	1	141.3750	0.000	1	141.3750	0.000	1	141.3750	0.000	1	139.3651	5.376	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5a,6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a])	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a]){1|H<1>,3|C<3>,6|C<4>}	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5a]	4:3:3:	3:4:4:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,3|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C){1|P<4>,5|C<4>}	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	123.1105	2.811	2	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|C<4>,3|H<1>}	124.2960	0.000	1	124.2960	0.000	1	124.2960	0.000	1	124.2960	0.000	1	123.1105	2.811	2	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	126.5205	0.361	2	126.5205	0.131	2	126.5205	0.131	2	127.5594	1.052	5	126.9654	1.383	8	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	128.2520	0.490	3	128.2520	0.241	3	128.2520	0.241	3	127.5594	1.052	5	126.9654	1.383	8	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	126.6460	0.000	1	126.6460	0.000	1	126.6460	0.000	1	125.9753	0.384	3	126.9654	1.383	8	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	125.6400	0.307	2	125.6400	0.094	2	125.6400	0.094	2	125.9753	0.384	3	126.9654	1.383	8	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	129.9310	0.000	1	129.9310	0.000	1	129.9310	0.000	1	129.9310	0.000	1	129.1320	1.277	2	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C){1|S<4>,2|F<1>,5|C<4>}	128.3330	0.000	1	128.3330	0.000	1	128.3330	0.000	1	128.3330	0.000	1	129.1320	1.277	2	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H)	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|C<4>,2|H<1>}	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,5|C<4>}	115.4342	0.273	5	115.4342	0.075	5	115.4342	0.075	5	115.4342	0.075	5	115.4342	0.075	5	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.0905	0.333	2	122.0905	0.111	2	122.0905	0.111	2	122.0905	0.111	2	122.0905	0.111	2	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5a]	3:4:3:	3:4:3:3:	3:3:3:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	121.3947	1.510	6	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){4|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<4>,3|C<3>}	121.2460	0.000	1	121.2460	0.000	1	121.7635	0.536	2	121.7635	0.536	2	121.3947	1.510	6	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<4>,3|C<3>}	122.2810	0.000	1	122.2810	0.000	1	121.7635	0.536	2	121.7635	0.536	2	121.3947	1.510	6	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a]){1|N<3>,2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,5|C<3>}	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	121.3947	1.510	6	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,5|C<3>}	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	119.9455	0.112	2	121.3947	1.510	6	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){6|C<3>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.9455	0.112	2	121.3947	1.510	6	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(N[5]S[5])	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(N[5]S[5]){2|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	123.6190	0.000	1	123.6190	0.000	1	123.6190	0.000	1	123.6190	0.000	1	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|N<3>,5|H<1>}	124.9830	0.000	1	124.9830	0.000	1	124.9830	0.000	1	124.6585	0.211	2	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C){1|B<3>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	124.6585	0.211	2	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]2Mo)(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H){1|Mo<8>,2|C<3>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]2Mo)(C[5]C[5]HH)2{2|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	126.4440	0.000	1	126.4440	0.000	1	126.4440	0.000	1	126.4440	0.000	1	123.7624	4.416	7	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	128.7310	0.000	1	128.7310	0.000	1	128.7310	0.000	1	128.7310	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	119.9698	1.473	8	119.9698	2.169	8	119.8725	1.745	11	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	120.1600	0.447	2	119.6130	0.997	3	119.8725	1.745	11	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	118.5190	0.000	1	119.6130	0.997	3	119.8725	1.745	11	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	120.0010	0.677	5	120.0010	0.458	5	119.5732	0.934	9	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	120.4220	0.000	1	119.8420	0.673	2	119.5732	0.934	9	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	119.2620	0.000	1	119.8420	0.673	2	119.5732	0.934	9	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	118.6370	0.000	1	118.2350	0.323	2	119.5732	0.934	9	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	117.8330	0.000	1	118.2350	0.323	2	119.5732	0.934	9	119.7378	1.335	20	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2{2|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,3|H<1>}	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	120.8380	0.000	1	120.8380	0.000	1	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	119.4290	0.000	1	119.5155	0.015	2	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	119.6020	0.000	1	119.5155	0.015	2	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	119.5920	0.000	1	119.5920	0.000	1	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	119.2367	0.527	3	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|F<1>}	120.0895	0.342	2	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	120.2762	1.490	30	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Fe<8>,1|C<3>,2|C<4>,2|F<1>}	119.4055	0.210	2	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,2|F<1>}	120.0240	0.000	1	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	119.7580	1.015	50	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	118.5810	0.000	1	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	119.0460	0.000	1	119.8949	1.407	90	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	120.1110	1.421	4	120.1110	2.019	4	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	117.8470	0.417	2	117.8470	0.174	2	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	119.8150	0.000	1	119.8150	0.000	1	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	120.3710	0.000	1	120.3710	0.000	1	119.8659	1.400	102	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	122.7940	0.000	1	120.2866	0.859	19	120.2866	0.859	19	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	119.6885	0.404	2	120.2866	0.859	19	120.2866	0.859	19	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	120.3550	0.000	1	120.2866	0.859	19	120.2866	0.859	19	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	120.4345	0.468	4	120.2866	0.859	19	120.2866	0.859	19	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.8765	0.273	4	120.2866	0.859	19	120.2866	0.859	19	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	120.2393	1.051	7	120.2866	0.859	19	120.2866	0.859	19	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	120.9995	1.252	2	120.9995	1.568	2	120.9995	1.568	2	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|C<4>,1|H<1>,2|F<1>,6|C<3>}	121.2370	0.000	1	121.2370	0.000	1	120.7547	2.056	31	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	121.1312	1.002	4	121.1312	1.003	4	120.7547	2.056	31	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	120.6946	1.548	25	120.6946	2.397	25	120.7547	2.056	31	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	120.2690	0.000	1	120.2690	0.000	1	120.7547	2.056	31	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	120.1463	0.090	3	120.1463	0.008	3	120.1463	0.008	3	120.1064	1.542	158	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	3:4:4:2:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:O-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|O<2>,2|C<3>,3|C<4>}	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	118.7442	0.752	4	118.7442	0.566	4	118.7442	0.566	4	118.7442	0.566	4	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	3:3:1:1:	3:3:3:	C[5a]-3:C[5]-4:S[5]-2:	C[5]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	126.8860	0.000	1	126.8860	0.000	1	126.8860	0.000	1	126.8860	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	3:3:4:2:	3:3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|C<4>,1|O<2>,4|C<3>}	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	3:3:4:3:	3:3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|C<3>}	122.2690	0.311	2	122.2690	0.097	2	122.2690	0.097	2	122.2690	0.097	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	3:4:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[5]O[5]CC)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5]){2|C<3>,3|C<4>}	C[5](C[5]C[5a]N[5])(C[5]O[5]CC)(H)2{1|C<3>,1|S<2>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	127.2570	0.000	1	127.2570	0.000	1	125.3900	6.971	2	125.3900	6.971	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	3:4:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2{1|C<3>,1|S<2>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	123.5230	0.000	1	123.5230	0.000	1	125.3900	6.971	2	125.3900	6.971	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6])	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,4|H<1>}	122.4690	0.593	2	122.4690	0.351	2	122.4690	0.351	2	122.4690	0.351	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:2:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5]){1|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.4960	1.227	4	123.4960	1.506	4	123.4960	1.506	4	123.4518	1.316	8	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{2|O<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	122.9190	0.000	1	122.9190	0.000	1	123.5285	0.743	2	123.4518	1.316	8	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	124.1380	0.000	1	124.1380	0.000	1	123.5285	0.743	2	123.4518	1.316	8	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	121.8940	0.000	1	121.8940	0.000	1	123.2865	3.878	2	123.4518	1.316	8	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	124.6790	0.000	1	124.6790	0.000	1	123.2865	3.878	2	123.4518	1.316	8	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:1:1:	3:3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|C<4>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	126.9320	0.000	1	126.9320	0.000	1	126.9320	0.000	1	126.9320	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:	4:3:4:1:	3:3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5]){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<4>,3|H<1>}	128.8220	0.000	1	128.8220	0.000	1	128.8220	0.000	1	128.8220	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:3:2:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-2:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:3:4:4:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])2(CH3)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])2(CH3)2{2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	124.5050	0.841	4	124.5050	0.708	4	124.5050	0.708	4	124.5050	0.708	4	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	125.4580	0.000	1	125.4580	0.000	1	123.8755	5.009	2	123.8755	5.009	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	122.2930	0.000	1	122.2930	0.000	1	123.8755	5.009	2	123.8755	5.009	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2){3|C<4>,3|H<1>}	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	119.4060	2.609	5	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2){1|N<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	118.7625	0.156	2	118.7625	0.024	2	119.7735	2.578	4	119.4060	2.609	5	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	120.7845	1.903	2	120.7845	3.621	2	119.7735	2.578	4	119.4060	2.609	5	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	N[5a]-4:C[5]-3:C[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]Zn)	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]C[5a]Zn2)(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]Zn){1|Zn<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|Zn<4>,1|C<3>,1|N<4>,2|H<1>}	C[5a](N[5a]C[5a]Zn2)(C[5]C[5]N[5])(C[5a]C[5a]H){2|C<4>,4|H<1>}	126.3730	0.000	1	126.3730	0.000	1	126.3730	0.000	1	126.3730	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	S[5a]-2:S[5a]-2:C[5]-3:	C[5](C[5a]S[5a]2)(C[5]C[5]HH)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](S[5a]C[5,5a])2(C[5]C[5]2)	C[5](C[5a]S[5a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|S<2>,4|H<1>}	C[5a](S[5a]C[5,5a])2(C[5]C[5]2){2|C<4>,2|S<2>,4|H<1>}	124.7320	0.007	2	124.7320	0.000	2	124.7320	0.000	2	124.7320	0.000	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2){1|S<1>,2|C<4>,5|H<1>}	125.2185	1.165	2	125.2185	1.356	2	125.2185	1.356	2	125.2185	1.356	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	4:3:2:	3:3:4:4:	3:3:3:	C[5]-4:C[5a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2{1|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2{2|C<4>,3|C<3>}	124.5400	0.000	1	124.5400	0.000	1	124.5400	0.000	1	124.5400	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:2:3:	C[5]-4:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){1|O<2>,5|C<3>}	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	120.6133	4.304	224	121.5809	17.372	268
818	474	727	0:SP2_SP2_SP3	C[5]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:O-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	117.7840	1.588	2	117.7840	2.522	2	117.7840	2.522	2	117.7840	2.522	2	120.6133	4.304	224	121.5809	17.372	268
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,5]-4:C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.6439	0.541	18	108.6439	0.292	18	108.6439	0.292	18	108.6439	0.292	18	108.6256	0.282	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:3:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5])	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]){1|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O){5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	108.6256	0.282	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.9210	0.000	1	109.4537	2.341	3	109.4537	2.341	3	109.4537	2.341	3	109.4537	2.341	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.8680	0.000	1	109.4537	2.341	3	109.4537	2.341	3	109.4537	2.341	3	109.4537	2.341	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.5720	0.000	1	109.4537	2.341	3	109.4537	2.341	3	109.4537	2.341	3	109.4537	2.341	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	107.8305	0.267	2	107.8305	0.071	2	107.8305	0.071	2	107.8305	0.071	2	107.8305	0.071	2	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO){2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:2:4:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	109.0520	0.000	1	109.0520	0.000	1	109.2060	0.047	2	109.2060	0.047	2	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	109.3600	0.000	1	109.3600	0.000	1	109.2060	0.047	2	109.2060	0.047	2	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	106.4700	0.000	1	106.4700	0.000	1	107.2310	1.158	2	107.2310	1.158	2	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H){1|S<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	107.9920	0.000	1	107.9920	0.000	1	107.2310	1.158	2	107.2310	1.158	2	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.1900	0.000	1	107.1900	0.000	1	107.3180	0.067	3	107.3180	0.067	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	107.3820	0.330	2	107.3820	0.109	2	107.3180	0.067	3	107.3180	0.067	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	107.6840	0.000	1	107.6840	0.000	1	107.6980	0.009	3	107.6980	0.009	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<2>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	107.7980	0.000	1	107.7050	0.017	2	107.6980	0.009	3	107.6980	0.009	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){2|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	107.6120	0.000	1	107.7050	0.017	2	107.6980	0.009	3	107.6980	0.009	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:O[5]-2:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	106.1910	0.000	1	106.1910	0.000	1	106.1910	0.000	1	109.5320	22.325	2	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:S[5]-2:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	109.5320	22.325	2	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	105.4550	0.000	1	105.4550	0.000	1	105.2683	0.026	3	105.2683	0.026	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.1750	0.000	2	105.1750	0.000	2	105.2683	0.026	3	105.2683	0.026	3	107.3977	3.155	19	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	137.8173	0.425	4	137.8173	0.180	4	137.8173	0.180	4	137.8173	0.180	4	137.8173	0.180	4	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.7400	0.000	1	109.7400	0.000	1	109.2714	0.078	5	109.2714	0.078	5	109.2772	0.063	6	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.1543	0.111	4	109.1543	0.012	4	109.2714	0.078	5	109.2714	0.078	5	109.2772	0.063	6	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	109.2772	0.063	6	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.5590	0.000	1	109.5590	0.000	1	109.8175	0.168	4	109.8401	0.319	7	109.0371	5.432	8	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.9037	0.455	3	109.9037	0.207	3	109.8175	0.168	4	109.8401	0.319	7	109.0371	5.432	8	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	110.0905	1.056	2	110.0905	1.115	2	109.8703	0.703	3	109.8401	0.319	7	109.0371	5.432	8	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.4300	0.000	1	109.4300	0.000	1	109.8703	0.703	3	109.8401	0.319	7	109.0371	5.432	8	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Cl<1>,3|C<4>,5|C<3>}	103.4160	0.000	1	103.4160	0.000	1	103.4160	0.000	1	103.4160	0.000	1	109.0371	5.432	8	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	106.3720	0.027	4	106.3720	0.001	4	106.3720	0.001	4	106.3720	0.001	4	106.3720	0.001	4	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH)	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	107.4240	0.717	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){2|H<1>,2|O<2>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	106.9500	0.293	2	106.9500	0.086	2	106.9500	0.086	2	106.9500	0.086	2	107.4240	0.717	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6]-3:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6])	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6]){1|N<2>,2|C<3>,3|H<1>,4|C<4>}	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	106.0940	0.000	1	106.0940	0.000	1	106.0940	0.000	1	107.8153	0.996	6	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	108.4780	0.575	3	108.1596	0.357	5	108.1596	0.357	5	107.8153	0.996	6	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	107.6820	0.072	2	108.1596	0.357	5	108.1596	0.357	5	107.8153	0.996	6	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3){6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	104.4772	0.806	4	104.4772	0.649	4	104.4772	0.649	4	104.4772	0.649	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:	3:4:3:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:	4:3:4:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	105.2585	0.179	2	105.2585	0.032	2	105.2585	0.032	2	105.2585	0.032	2	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	104.4250	0.000	1	104.4250	0.000	1	104.4250	0.000	1	104.4250	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	107.0360	0.252	2	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	107.0360	0.252	2	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	104.9090	0.000	1	104.9090	0.000	1	106.0360	1.042	3	106.4382	1.342	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	106.5995	0.424	2	106.5995	0.179	2	106.0360	1.042	3	106.4382	1.342	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	106.4382	1.342	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	106.9100	0.000	1	106.9100	0.000	1	106.9100	0.000	1	107.0752	0.539	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	107.0752	0.539	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.4100	0.000	1	106.4100	0.000	1	106.6335	0.100	2	107.0752	0.539	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	106.8570	0.000	1	106.8570	0.000	1	106.6335	0.100	2	107.0752	0.539	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	112.2675	0.100	2	112.2675	0.010	2	111.8998	0.171	6	111.8998	0.171	6	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	111.7160	0.382	4	111.7160	0.146	4	111.8998	0.171	6	111.8998	0.171	6	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	106.4510	0.000	1	106.4510	0.000	1	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	106.2975	0.094	2	106.2975	0.009	2	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	107.5510	0.000	1	107.5510	0.000	1	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	108.9660	0.000	1	107.8280	0.462	5	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	107.5435	0.277	4	107.8280	0.462	5	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.4730	0.000	1	108.4730	0.000	1	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>,4|C<4>}	103.7920	0.000	1	103.7920	0.000	1	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	107.3940	0.000	1	107.3940	0.000	1	107.1163	1.757	12	107.1163	1.757	12	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H)	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H){1|B<4>,3|H<1>,5|C<3>}	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.3790	0.000	1	107.3790	0.000	1	107.3790	0.000	1	107.0910	0.551	3	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	107.6460	0.000	1	107.6460	0.000	1	106.9470	0.977	2	107.0910	0.551	3	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6]){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	106.2480	0.000	1	106.2480	0.000	1	106.9470	0.977	2	107.0910	0.551	3	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	104.5480	0.697	2	104.5480	0.486	2	104.5480	0.486	2	105.5747	1.573	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	106.6015	0.127	2	106.6015	0.016	2	106.6015	0.016	2	105.5747	1.573	4	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:S[5]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH){1|C<2>,2|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	113.4660	0.074	2	113.4660	0.005	2	113.4660	0.005	2	113.4660	0.005	2	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:2:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:N[6]-2:	C[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	107.1623	0.106	3	107.1623	0.011	3	107.1623	0.011	3	107.1623	0.011	3	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	107.4351	5.396	59	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:3:	3:2:2:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H){1|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	105.7970	0.000	1	105.7970	0.000	1	105.7970	0.000	1	105.7970	0.000	1	107.4237	2.201	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|P<3>,2|C<3>,6|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	107.4237	2.201	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H){1|C<2>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<2>,3|C<3>,6|H<1>}	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.4237	2.201	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5,6]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	108.0420	0.516	2	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5,6]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.0420	0.516	2	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:O-1:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O){1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	107.4745	0.202	2	107.4745	0.041	2	107.4745	0.041	2	107.4745	0.041	2	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	107.6760	0.000	1	107.8177	0.018	3	107.8177	0.018	3	107.8177	0.018	3	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	107.8885	0.070	2	107.8177	0.018	3	107.8177	0.018	3	107.8177	0.018	3	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	3:4:3:4:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	N[5,5]-3:C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	107.9350	0.000	1	107.4710	0.328	3	107.4710	0.328	3	107.4710	0.328	3	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	107.2390	0.577	2	107.4710	0.328	3	107.4710	0.328	3	107.4710	0.328	3	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	107.7180	0.266	2	107.7180	0.071	2	107.9714	0.129	7	107.9054	0.166	11	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	108.0123	0.451	3	108.0123	0.203	3	107.9714	0.129	7	107.9054	0.166	11	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	108.1635	0.299	2	108.1635	0.089	2	107.9714	0.129	7	107.9054	0.166	11	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	107.6113	0.460	3	107.6113	0.212	3	107.7897	0.268	4	107.9054	0.166	11	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	108.3250	0.000	1	108.3250	0.000	1	107.7897	0.268	4	107.9054	0.166	11	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.4535	1.094	4	108.4535	1.196	4	108.4535	1.196	4	108.4535	1.196	4	107.8298	0.457	24	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,3x6]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O)	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.4821	1.686	7	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	107.4821	1.686	7	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,6|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	109.9230	0.000	1	109.9230	0.000	1	107.7970	1.441	5	107.7970	1.441	5	107.4821	1.686	7	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.2655	0.194	4	107.2655	0.038	4	107.7970	1.441	5	107.7970	1.441	5	107.4821	1.686	7	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.5437	0.004	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<4>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5437	0.004	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.5437	0.004	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]2H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O){2|C<3>,2|H<1>,3|C<4>}	108.6910	0.037	2	108.6910	0.001	2	108.6910	0.001	2	108.6910	0.001	2	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:2:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:N-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	107.3030	0.000	1	107.3030	0.000	1	107.4485	0.036	6	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.4630	0.000	1	107.4630	0.000	1	107.4485	0.036	6	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.5080	0.000	1	107.5080	0.000	1	107.4485	0.036	6	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.3130	0.047	2	107.3130	0.002	2	107.4485	0.036	6	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.7910	0.000	1	107.7910	0.000	1	107.4485	0.036	6	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	105.9090	0.000	1	106.7920	1.559	2	106.7920	1.559	2	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){4|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	107.6750	0.000	1	106.7920	1.559	2	106.7920	1.559	2	107.2844	0.341	8	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:O-1:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	105.7585	0.291	2	105.7585	0.084	2	106.0087	0.230	3	106.0087	0.230	3	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	106.5090	0.000	1	106.5090	0.000	1	106.0087	0.230	3	106.0087	0.230	3	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.2692	1.446	18	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:1:	3:2:4:2:	3:2:3:	C[5,5a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-4:O[5]-2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O)	C[5,5](C[5]C[5,5a]O)(O[5]C[5,5a])(C[5]C[5]CC)(O[5]C[5])	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O){3|C<3>,3|C<4>}	C[5,5](C[5]C[5,5a]O)(O[5]C[5,5a])(C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>}	102.9610	0.000	1	102.9610	0.000	1	102.9610	0.000	1	102.9610	0.000	1	106.4936	4.093	5	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O){2|H<1>,3|C<3>,3|C<4>}	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.4936	4.093	5	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.9950	0.000	1	106.9950	0.000	1	107.5407	0.226	3	107.5407	0.226	3	106.4936	4.093	5	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3)	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.8135	0.070	2	107.8135	0.005	2	107.5407	0.226	3	107.5407	0.226	3	106.4936	4.093	5	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<2>,1|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|Cl<1>,3|C<3>}	104.7740	0.000	1	104.7740	0.000	1	104.7740	0.000	1	104.7740	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	106.0410	0.000	1	106.0410	0.000	1	105.4525	0.693	2	105.8007	0.341	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	104.8640	0.000	1	104.8640	0.000	1	105.4525	0.693	2	105.8007	0.341	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.3635	0.074	2	106.3635	0.006	2	105.9748	0.217	4	105.8007	0.341	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.5860	0.201	2	105.5860	0.040	2	105.9748	0.217	4	105.8007	0.341	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2{2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	105.7900	0.185	2	105.7900	0.034	2	105.7900	0.034	2	106.7302	0.284	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	107.0225	0.313	2	107.0225	0.098	2	107.0225	0.098	2	106.7302	0.284	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2{2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	106.9915	0.052	2	106.9915	0.003	2	106.9462	0.041	6	106.7302	0.284	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2{2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	106.8700	0.417	2	106.8700	0.174	2	106.9462	0.041	6	106.7302	0.284	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	106.9770	0.109	2	106.9770	0.012	2	106.9462	0.041	6	106.7302	0.284	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O)	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	106.2200	0.000	1	106.2200	0.000	1	106.2200	0.000	1	106.2200	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	105.0120	0.000	1	105.0120	0.000	1	105.0120	0.000	1	107.9446	0.753	16	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.9446	0.753	16	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	107.4490	0.556	2	107.4490	0.309	2	108.1808	0.136	14	107.9446	0.753	16	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,5](C[5]C[5,6a]O)2(N[5]C[5]C)2{2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	108.3028	0.139	12	108.3028	0.019	12	108.1808	0.136	14	107.9446	0.753	16	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	107.4465	2.018	13	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.9880	0.066	2	108.9880	0.004	2	108.2911	0.277	8	107.4465	2.018	13	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.9348	0.252	4	107.9348	0.063	4	108.2911	0.277	8	107.4465	2.018	13	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.3070	0.518	2	108.3070	0.268	2	108.2911	0.277	8	107.4465	2.018	13	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O){1|Cl<1>,1|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	104.6245	0.090	2	104.6245	0.008	2	104.6245	0.008	2	107.4465	2.018	13	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,6]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O)	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	106.9255	0.284	2	106.9255	0.080	2	106.9255	0.080	2	107.4465	2.018	13	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.3710	0.000	1	107.3710	0.000	1	107.8077	0.129	7	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.6320	0.000	1	107.8805	0.111	6	107.8077	0.129	7	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.7040	0.000	1	107.8805	0.111	6	107.8077	0.129	7	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.9868	0.373	4	107.8805	0.111	6	107.8077	0.129	7	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.0740	0.273	2	108.3947	0.107	6	108.3778	0.078	8	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.5550	0.224	4	108.3947	0.107	6	108.3778	0.078	8	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.3270	0.078	2	108.3270	0.006	2	108.3778	0.078	8	108.1117	0.181	15	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O)	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.3650	0.000	1	106.3650	0.000	1	106.3650	0.000	1	106.3650	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	105.8320	0.000	1	105.8320	0.000	1	106.8483	0.495	4	107.5861	0.525	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.9170	0.000	1	106.9170	0.000	1	106.8483	0.495	4	107.5861	0.525	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	107.3220	0.000	2	107.3220	0.000	2	106.8483	0.495	4	107.5861	0.525	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.8352	0.582	6	107.8352	0.339	6	107.8812	0.255	10	107.5861	0.525	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.9502	0.434	4	107.9502	0.188	4	107.8812	0.255	10	107.5861	0.525	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	108.1465	0.287	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	108.1465	0.287	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.4080	0.000	1	104.4080	0.000	1	104.4080	0.000	1	104.4080	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	108.8700	6.960	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	108.8700	6.960	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.7093	0.346	3	110.7093	0.120	3	110.7093	0.120	3	108.8700	6.960	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	107.2330	0.000	1	107.2330	0.000	1	107.2330	0.000	1	106.2422	0.501	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.6525	0.045	2	105.6525	0.002	2	106.0440	0.332	5	106.2422	0.501	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.3050	0.638	3	106.3050	0.407	3	106.0440	0.332	5	106.2422	0.501	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	105.9030	0.000	1	105.9030	0.000	1	105.8092	0.058	4	105.8092	0.058	4	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.6625	0.286	2	105.6625	0.082	2	105.8092	0.058	4	105.8092	0.058	4	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	106.0090	0.000	1	106.0090	0.000	1	105.8092	0.058	4	105.8092	0.058	4	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.1020	0.000	1	106.7835	0.929	2	106.7835	0.929	2	106.7835	0.929	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.4650	0.000	1	106.7835	0.929	2	106.7835	0.929	2	106.7835	0.929	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	107.1690	0.000	1	107.1690	0.000	1	107.6433	0.208	6	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	107.5555	0.313	2	107.8513	0.312	3	107.6433	0.208	6	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	108.4430	0.000	1	107.8513	0.312	3	107.6433	0.208	6	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	107.5685	0.221	2	107.5685	0.049	2	107.6433	0.208	6	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:N[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	108.3045	0.260	2	108.3045	0.067	2	108.3045	0.067	2	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|N<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	107.4282	1.111	12	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	106.5805	0.098	2	106.5805	0.010	2	106.5805	0.010	2	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|Se<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.7215	0.029	2	107.7215	0.001	2	107.4368	0.142	8	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.1535	0.175	2	107.1535	0.031	2	107.4368	0.142	8	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H){1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.0455	0.182	2	107.0455	0.033	2	107.4368	0.142	8	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.8265	0.015	2	107.8265	0.000	2	107.4368	0.142	8	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	106.4810	0.000	1	106.4740	0.023	3	106.4740	0.023	3	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|S<3>,2|C<3>,4|H<1>}	106.4705	0.216	2	106.4740	0.023	3	106.4740	0.023	3	107.1282	0.311	14	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H){1|Fe<10>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4415	0.503	2	108.4415	0.253	2	108.4415	0.253	2	108.4287	0.083	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.3760	0.133	2	108.3760	0.018	2	108.3760	0.018	2	108.4287	0.083	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4420	0.305	6	108.4420	0.093	6	108.4420	0.093	6	108.4287	0.083	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.2980	0.249	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	107.2980	0.249	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.6280	0.000	1	105.6280	0.000	1	106.3670	0.850	3	106.3670	0.850	3	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a]){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.4000	0.000	1	107.4000	0.000	1	106.3670	0.850	3	106.3670	0.850	3	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	106.0730	0.000	1	106.0730	0.000	1	106.3670	0.850	3	106.3670	0.850	3	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.5320	0.366	2	107.5320	0.134	2	108.0066	0.264	18	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.7843	0.336	8	107.7925	0.096	10	108.0066	0.264	18	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.8255	0.269	2	107.7925	0.096	10	108.0066	0.264	18	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.3925	0.650	2	108.3925	0.422	2	108.0066	0.264	18	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.5860	0.412	4	108.5860	0.170	4	108.0066	0.264	18	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.4435	0.098	2	107.4435	0.010	2	107.8700	0.369	6	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4345	0.798	2	108.4345	0.637	2	107.8700	0.369	6	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.7320	0.396	2	107.7320	0.157	2	107.8700	0.369	6	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	107.4830	0.000	1	107.4830	0.000	1	108.1692	0.236	13	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.2095	0.110	2	108.2095	0.012	2	108.1692	0.236	13	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2{1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.3440	0.451	2	108.3440	0.204	2	108.1692	0.236	13	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.2013	0.545	8	108.2013	0.297	8	108.1692	0.236	13	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	106.3220	0.000	1	106.3220	0.000	1	107.4383	0.653	4	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	107.5520	0.000	1	107.5520	0.000	1	107.4383	0.653	4	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.9395	0.445	2	107.9395	0.198	2	107.4383	0.653	4	107.9827	0.321	41	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.4910	0.000	1	107.4910	0.000	1	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.2395	0.105	2	106.9277	0.297	3	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	106.3040	0.000	1	106.9277	0.297	3	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	106.3870	0.000	1	106.3870	0.000	1	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.1695	0.385	2	107.2866	0.053	8	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.3257	0.195	6	107.2866	0.053	8	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.5438	0.630	5	107.5438	0.397	5	107.2596	0.242	18	107.2596	0.242	18	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a]){1|Ga<3>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	108.6710	0.585	2	108.6710	0.343	2	108.6710	0.343	2	108.6710	0.343	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	105.2870	0.000	1	105.2870	0.000	1	105.2870	0.000	1	105.2870	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	107.9370	0.120	2	107.9370	0.014	2	107.9370	0.014	2	107.9370	0.014	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(N[5]C[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(N[5]C[5]H)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.5565	0.091	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H)	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.5565	0.091	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H){6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH)	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.0500	0.062	2	106.0500	0.004	2	106.0500	0.004	2	106.0500	0.004	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	105.4530	0.000	1	105.4530	0.000	1	105.4530	0.000	1	105.4530	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	105.8880	0.000	1	105.8880	0.000	1	105.8880	0.000	1	105.9630	0.056	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.0770	0.000	1	106.0770	0.000	1	106.0537	0.015	3	105.9630	0.056	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	105.9200	0.000	1	105.9200	0.000	1	106.0537	0.015	3	105.9630	0.056	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<4>,3|C<3>}	106.1640	0.000	1	106.1640	0.000	1	106.0537	0.015	3	105.9630	0.056	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	N[5,5]-3:C[5,5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	105.8645	0.446	2	105.8645	0.199	2	105.8645	0.199	2	105.9630	0.056	6	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5,5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,6|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|C<4>,1|S<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.9020	0.000	1	107.6275	0.151	2	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.3530	0.000	1	107.6275	0.151	2	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.9590	0.000	1	108.5720	0.324	5	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2110	0.000	1	108.5720	0.324	5	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3710	0.000	1	108.5720	0.324	5	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.3290	0.000	1	108.5720	0.324	5	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.9900	0.000	1	108.5720	0.324	5	108.3021	0.453	7	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	105.2440	0.000	1	105.2440	0.000	1	105.2440	0.000	1	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	N[5,5]-3:C[5]-3:C[5]-3:C[5,5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.7612	0.509	10	107.7612	0.259	10	107.7612	0.259	10	107.8651	0.762	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.8100	0.000	1	108.0510	0.155	6	108.0510	0.155	6	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){2|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.3720	0.000	1	108.0510	0.155	6	108.0510	0.155	6	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3175	0.088	2	108.0510	0.155	6	108.0510	0.155	6	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,6|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2445	0.183	2	108.0510	0.155	6	108.0510	0.155	6	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	106.7840	0.000	1	106.7840	0.000	1	106.7840	0.000	1	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.0635	0.349	8	108.0044	0.115	10	108.0044	0.115	10	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.6110	0.000	1	108.0044	0.115	10	108.0044	0.115	10	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.9250	0.000	1	108.0044	0.115	10	108.0044	0.115	10	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.0352	0.311	5	108.0352	0.096	5	108.0352	0.096	5	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5]C[5,6a]O)2(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5,6a]O)2(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.3142	0.333	16	107.3142	0.111	16	107.3142	0.111	16	107.6995	0.247	39	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:4:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	N[5,5]-3:C[5]-3:C[3]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN){1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.0410	0.000	1	106.0410	0.000	1	106.0410	0.000	1	106.0410	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	107.5300	0.000	1	107.6028	1.075	4	107.9235	0.580	11	107.3927	0.812	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.6270	1.268	3	107.6028	1.075	4	107.9235	0.580	11	107.3927	0.812	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|O<2>}	108.1067	0.567	7	108.1067	0.322	7	107.9235	0.580	11	107.3927	0.812	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.3630	0.000	1	106.3630	0.000	1	106.6630	0.207	8	107.3927	0.812	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>}	106.7059	0.474	7	106.7059	0.225	7	106.6630	0.207	8	107.3927	0.812	19	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.5960	0.000	1	107.5960	0.000	1	107.8462	0.105	6	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.0215	0.213	4	108.0215	0.045	4	107.8462	0.105	6	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.3950	0.000	1	107.3950	0.000	1	107.8462	0.105	6	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.0215	0.175	2	107.8183	0.139	3	107.8183	0.139	3	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.4120	0.000	1	107.8183	0.139	3	107.8183	0.139	3	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2638	0.332	6	108.1491	0.155	11	108.0266	0.321	12	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.0970	0.606	3	108.1491	0.155	11	108.0266	0.321	12	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.8830	0.181	2	108.1491	0.155	11	108.0266	0.321	12	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	106.6790	0.000	1	106.6790	0.000	1	108.0266	0.321	12	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.7575	0.071	2	107.7575	0.005	2	107.7575	0.005	2	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.9160	0.238	26	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:2:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	111.9075	0.187	2	111.9286	0.065	5	111.9286	0.065	5	111.9286	0.065	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:2:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	111.9427	0.335	3	111.9286	0.065	5	111.9286	0.065	5	111.9286	0.065	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.6130	0.292	4	106.6130	0.085	4	106.6130	0.085	4	108.3339	4.859	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	108.0550	0.000	1	108.0550	0.000	1	108.0823	0.042	4	108.3339	4.859	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	108.2510	0.000	1	108.0913	0.063	3	108.0823	0.042	4	108.3339	4.859	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	108.0115	0.295	2	108.0913	0.063	3	108.0823	0.042	4	108.3339	4.859	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	112.2790	0.348	2	112.2790	0.121	2	112.2790	0.121	2	108.3339	4.859	10	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.8610	0.327	4	107.8610	0.107	4	107.9885	0.068	8	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.1340	0.136	2	108.1160	0.008	4	107.9885	0.068	8	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.0980	0.074	2	108.1160	0.008	4	107.9885	0.068	8	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.9325	0.111	2	107.9325	0.012	2	107.9549	0.084	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.0305	0.166	2	108.0305	0.028	2	107.9549	0.084	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.7380	0.250	4	107.7380	0.062	4	107.9549	0.084	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.3355	0.186	2	108.3355	0.035	2	107.9549	0.084	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.5593	0.767	6	107.9311	0.573	10	107.9311	0.573	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.6635	0.094	2	107.9311	0.573	10	107.9311	0.573	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.3140	0.095	2	107.9311	0.573	10	107.9311	0.573	10	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.4410	0.396	2	107.4410	0.157	2	107.4410	0.157	2	107.9273	0.236	31	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5]-3:N[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O){2|C<3>,4|C<4>,4|H<1>}	108.3330	0.000	1	108.3330	0.000	1	107.9985	0.224	2	107.9985	0.224	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O){2|C<4>,2|H<1>,5|C<3>}	107.6640	0.000	1	107.6640	0.000	1	107.9985	0.224	2	107.9985	0.224	2	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.4420	0.000	2	108.4420	0.000	2	108.4420	0.000	2	108.0864	7.669	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.8860	0.000	1	105.8860	0.000	1	105.6095	0.153	2	108.0864	7.669	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.3330	0.000	1	105.3330	0.000	1	105.6095	0.153	2	108.0864	7.669	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	108.0864	7.669	5	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:	3:3:2:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	105.5855	0.160	4	105.5855	0.025	4	105.5855	0.025	4	105.5855	0.025	4	107.6065	1.397	382	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.0190	0.000	2	107.0190	0.000	2	107.0190	0.000	2	107.0190	0.000	2	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.8537	0.413	3	107.8537	0.170	3	107.8537	0.170	3	108.1103	0.105	9	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.5720	0.000	1	108.5720	0.000	1	108.2094	0.044	5	108.1103	0.105	9	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){1|C<4>,9|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.1188	0.063	4	108.1188	0.004	4	108.2094	0.044	5	108.1103	0.105	9	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H){11|C<3>,1|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	108.1103	0.105	9	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.1196	0.565	10	108.1196	0.320	10	108.1196	0.320	10	108.1341	0.232	14	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.1705	0.206	4	108.1705	0.042	4	108.1705	0.042	4	108.1341	0.232	14	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[3x6]-4:C[3x6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	108.7150	0.396	2	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.7150	0.396	2	108.0404	0.332	28	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O){2|C<3>,3|C<4>,3|H<1>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	106.2115	0.724	2	107.0100	2.275	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H){2|C<4>,4|H<1>}	105.6100	0.000	1	105.6100	0.000	1	105.6100	0.000	1	106.2115	0.724	2	107.0100	2.275	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a])	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a]){1|H<1>,8|C<3>}	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	107.0100	2.275	3	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:2:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	105.4450	0.000	1	105.4450	0.000	1	105.4450	0.000	1	105.4450	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){2|Cl<1>,3|C<3>}	104.9610	0.000	1	104.9610	0.000	1	105.0170	0.006	2	105.0170	0.006	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	105.0730	0.000	1	105.0730	0.000	1	105.0170	0.006	2	105.0170	0.006	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	105.0483	0.355	19	105.0483	0.126	19	105.0483	0.126	19	105.0483	0.126	19	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O){1|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	108.1068	0.244	5	108.1082	0.050	8	108.1082	0.050	8	107.9898	0.137	12	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	108.1107	0.236	3	108.1082	0.050	8	108.1082	0.050	8	107.9898	0.137	12	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	108.1995	0.040	2	108.1995	0.002	2	108.1995	0.002	2	107.9898	0.137	12	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	107.3060	0.160	2	107.3060	0.026	2	107.3060	0.026	2	107.9898	0.137	12	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:C[6]-4:O[6]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.4965	0.248	2	107.4965	0.062	2	107.4965	0.062	2	106.9483	0.193	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-3:N[5]-3:C[6]-4:O[6]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O)	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.6635	0.042	2	106.6635	0.002	2	106.6635	0.002	2	106.9483	0.193	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.6770	0.000	1	106.6770	0.000	1	106.6850	0.000	2	106.9483	0.193	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.6930	0.000	1	106.6930	0.000	1	106.6850	0.000	2	106.9483	0.193	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.4890	0.000	1	106.4890	0.000	1	106.9415	0.410	2	106.9415	0.410	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.3940	0.000	1	107.3940	0.000	1	106.9415	0.410	2	106.9415	0.410	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|H<1>,1|O<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.2805	0.560	4	108.2805	0.314	4	108.2805	0.314	4	107.8200	1.296	5	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	107.8200	1.296	5	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	3:4:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	105.9050	0.396	2	105.9050	0.157	2	105.6000	0.254	8	106.3023	4.661	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	104.6990	0.000	1	105.4983	0.274	6	105.6000	0.254	8	106.3023	4.661	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	106.1300	0.000	1	105.4983	0.274	6	105.6000	0.254	8	106.3023	4.661	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	105.3250	0.324	2	105.4983	0.274	6	105.6000	0.254	8	106.3023	4.661	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.7555	0.189	2	105.4983	0.274	6	105.6000	0.254	8	106.3023	4.661	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	106.3023	4.661	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.8155	0.839	2	107.8155	0.704	2	108.4520	0.475	6	108.3060	0.350	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7703	0.389	4	108.7703	0.151	4	108.4520	0.475	6	108.3060	0.350	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.3565	0.016	2	108.0870	0.152	4	108.0870	0.152	4	108.3060	0.350	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.8175	0.408	2	108.0870	0.152	4	108.0870	0.152	4	108.3060	0.350	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	107.6575	0.428	2	107.6575	0.183	2	107.7732	0.082	4	108.2496	0.315	14	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	107.8890	0.100	2	107.8890	0.010	2	107.7732	0.082	4	108.2496	0.315	14	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.8295	0.342	2	108.8295	0.117	2	108.4401	0.287	10	108.2496	0.315	14	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.3340	0.338	2	108.3340	0.114	2	108.4401	0.287	10	108.2496	0.315	14	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.6270	0.214	2	108.6270	0.046	2	108.4401	0.287	10	108.2496	0.315	14	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.2050	0.751	4	108.2050	0.564	4	108.4401	0.287	10	108.2496	0.315	14	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.7590	0.000	1	108.7590	0.000	1	108.3634	0.267	8	108.3634	0.267	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.5730	0.160	2	107.9403	0.418	3	108.3634	0.267	8	108.3634	0.267	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	108.6750	0.000	1	107.9403	0.418	3	108.3634	0.267	8	108.3634	0.267	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	108.6330	0.000	1	108.6330	0.000	1	108.3634	0.267	8	108.3634	0.267	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.7750	0.000	1	108.7750	0.000	1	108.3634	0.267	8	108.3634	0.267	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	108.4595	0.288	2	108.4595	0.083	2	108.3634	0.267	8	108.3634	0.267	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	108.0070	0.121	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<4>,2|C<3>,4|H<1>}	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	108.0070	0.121	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.5975	0.602	2	107.5975	0.362	2	107.3703	0.336	3	107.3703	0.336	3	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.9160	0.000	1	106.9160	0.000	1	107.3703	0.336	3	107.3703	0.336	3	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.0322	0.603	6	107.0322	0.364	6	107.3049	0.545	9	107.3049	0.545	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	107.9020	0.000	1	107.9020	0.000	1	107.3049	0.545	9	107.3049	0.545	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	107.8245	1.094	2	107.8245	1.197	2	107.3049	0.545	9	107.3049	0.545	9	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	106.8600	0.387	2	106.8600	0.150	2	106.8600	0.150	2	105.8701	0.366	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	105.5300	0.305	2	105.5300	0.093	2	105.6226	0.099	8	105.8701	0.366	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	105.8595	0.433	2	105.6535	0.116	6	105.6226	0.099	8	105.8701	0.366	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.6820	0.169	3	105.6535	0.116	6	105.6226	0.099	8	105.8701	0.366	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.1560	0.000	1	105.6535	0.116	6	105.6226	0.099	8	105.8701	0.366	10	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.0530	0.233	4	108.0530	0.054	4	108.0530	0.054	4	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.5900	0.578	2	108.5900	0.335	2	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.6150	0.498	6	108.6150	0.248	6	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.3235	0.472	2	108.4288	0.064	6	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4815	0.145	4	108.4288	0.064	6	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.5485	0.124	2	108.1714	0.691	11	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.6090	0.199	2	108.1714	0.691	11	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.6035	1.017	4	108.1714	0.691	11	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.7187	0.858	3	108.1714	0.691	11	108.3731	0.405	25	108.3290	0.365	29	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	109.1230	0.099	2	109.1230	0.010	2	109.1230	0.010	2	108.9080	0.144	3	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.9080	0.144	3	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:2:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:2:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a])	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	108.3525	0.398	2	108.3525	0.158	2	108.3525	0.158	2	108.3525	0.158	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	104.8040	0.000	1	104.8040	0.000	1	104.8040	0.000	1	104.8040	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH){1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.8760	0.957	2	106.8760	0.917	2	106.8760	0.917	2	106.8760	0.917	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	107.7895	0.334	2	107.7895	0.112	2	107.7895	0.112	2	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	108.3575	0.474	2	108.3575	0.225	2	108.3575	0.225	2	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	107.4155	0.309	2	107.4155	0.095	2	107.4155	0.095	2	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	108.0715	0.023	2	108.0715	0.001	2	108.0715	0.001	2	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.2560	0.000	1	106.7935	0.578	2	106.7935	0.578	2	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	107.3310	0.000	1	106.7935	0.578	2	106.7935	0.578	2	107.6632	0.432	13	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	106.9200	0.010	3	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.8830	0.110	2	106.8830	0.012	2	106.8830	0.012	2	106.9200	0.010	3	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){4|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.2215	0.394	6	108.2215	0.155	6	108.2215	0.155	6	108.2215	0.155	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.7572	0.226	4	107.7572	0.051	4	107.7572	0.051	4	106.8290	1.260	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.4850	0.614	2	106.4850	0.377	2	106.4850	0.377	2	106.8290	1.260	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:N[5,6]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]N[5,6]C[5]N[5])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,2|N<3>,5|C<3>}	C[5,6](C[5,6]N[5,6]C[5]N[5])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|O<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	105.3165	0.173	2	105.3165	0.030	2	105.3165	0.030	2	106.8290	1.260	8	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[3x6]-4:C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	105.0315	0.359	2	105.0315	0.129	2	105.0315	0.129	2	106.0672	0.991	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	105.9605	0.204	2	105.9605	0.042	2	106.5850	0.537	4	106.0672	0.991	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.2095	0.090	2	107.2095	0.008	2	106.5850	0.537	4	106.0672	0.991	6	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.6365	0.094	2	107.6365	0.009	2	107.6365	0.009	2	107.6365	0.009	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	106.5395	0.004	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH){2|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	106.5395	0.004	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.4120	0.011	2	107.4120	0.000	2	107.4120	0.000	2	107.4120	0.000	2	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H){2|N<2>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	107.2833	1.756	202	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	105.9730	0.245	2	105.9730	0.060	2	105.8440	0.047	4	105.8440	0.047	4	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,2|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	105.7150	0.116	2	105.7150	0.013	2	105.8440	0.047	4	105.8440	0.047	4	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	105.5730	0.000	1	106.4070	0.694	3	106.4070	0.694	3	106.4070	0.694	3	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	106.8240	0.587	2	106.4070	0.694	3	106.4070	0.694	3	106.4070	0.694	3	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,5|H<1>}	106.4080	0.000	1	106.4080	0.000	1	106.4080	0.000	1	106.3453	0.059	3	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	106.3140	0.335	2	106.3140	0.112	2	106.3140	0.112	2	106.3453	0.059	3	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O)	C[5](C[5]C[5,5a]O)2(F)2	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O){1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]O)2(F)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	103.6950	0.000	1	103.6950	0.000	1	103.6950	0.000	1	103.6950	0.000	1	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5](C[5]C[5,5a]O)2(F)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5,5a]O)2(F)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O){1|O<1>,1|S<2>,2|C<3>,2|F<1>}	105.6474	0.646	7	105.6474	0.417	7	105.4885	0.559	8	105.8058	0.644	13	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5](C[5]C[5,5a]O)2(F)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5,5a]O)2(F)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|F<1>}	104.3760	0.000	1	104.3760	0.000	1	105.4885	0.559	8	105.8058	0.644	13	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,2|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){1|Ni<4>,2|C<3>,2|H<1>}	106.2975	1.286	2	106.2975	1.654	2	106.2618	0.555	4	105.8058	0.644	13	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	106.2260	0.082	2	106.2260	0.007	2	106.2618	0.555	4	105.8058	0.644	13	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2{2|C<3>}	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.5210	0.000	1	106.5210	0.000	1	106.5210	0.000	1	105.8058	0.644	13	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:3:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	106.7235	0.835	2	106.7235	0.697	2	106.4823	0.523	3	106.4823	0.523	3	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	3:3:3:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	106.0000	0.000	1	106.0000	0.000	1	106.4823	0.523	3	106.4823	0.523	3	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{1|C<3>,1|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|S<4>,2|C<3>,5|H<1>}	106.0180	0.033	2	106.0180	0.001	2	106.1270	0.036	3	106.6043	0.270	7	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<2>,2|C<3>,5|H<1>}	106.3450	0.000	1	106.3450	0.000	1	106.1270	0.036	3	106.6043	0.270	7	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){1|Br<1>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2{4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O){3|C<3>,3|H<1>}	106.7640	0.000	1	106.7640	0.000	1	106.9622	0.118	4	106.6043	0.270	7	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	106.7430	0.000	1	107.0283	0.150	3	106.9622	0.118	4	106.6043	0.270	7	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	107.1710	0.423	2	107.0283	0.150	3	106.9622	0.118	4	106.6043	0.270	7	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:2:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O){1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H){1|C<3>,1|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:3:2:	3:2:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	105.6350	0.386	2	105.6350	0.149	2	105.6350	0.149	2	105.6350	0.149	2	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<4>,4|H<1>}	108.0958	0.317	6	108.0958	0.100	6	108.0958	0.100	6	108.0958	0.100	6	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:2:	4:3:3:2:	3:3:3:	C[5,5a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	104.8570	0.000	1	104.8570	0.000	1	105.3630	0.512	2	105.3630	0.512	2	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C){5|H<1>}	105.8690	0.000	1	105.8690	0.000	1	105.3630	0.512	2	105.3630	0.512	2	106.2907	1.166	49	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	103.1470	0.000	1	103.1470	0.000	1	103.1470	0.000	1	103.1470	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2){1|C<4>,1|O<2>,4|F<1>,5|C<3>}	104.8980	0.000	1	104.8980	0.000	1	104.8980	0.000	1	105.2820	0.067	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	105.3780	0.169	4	105.3780	0.029	4	105.3780	0.029	4	105.2820	0.067	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5]-3:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|O<2>,5|C<3>,5|H<1>}	104.5030	0.000	1	104.5030	0.000	1	104.5030	0.000	1	104.5030	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	106.1170	0.000	1	104.9844	0.212	9	104.9844	0.212	9	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	104.7905	0.199	2	104.9844	0.212	9	104.9844	0.212	9	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	104.8603	0.205	6	104.9844	0.212	9	104.9844	0.212	9	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|H<1>,5|C<3>}	104.5550	0.000	1	104.5550	0.000	1	104.8727	1.111	12	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){1|C<4>,5|C<3>,5|H<1>}	104.4960	0.000	1	104.4960	0.000	1	104.8727	1.111	12	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|C<3>,5|H<1>}	105.5553	1.697	4	105.5553	2.880	4	104.8727	1.111	12	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|C<3>,5|H<1>}	104.5333	0.397	6	104.5333	0.157	6	104.8727	1.111	12	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|C<4>,5|C<3>,5|H<1>}	105.6825	0.059	2	105.6825	0.003	2	105.6825	0.003	2	104.9868	0.684	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	104.5679	0.259	16	104.5679	0.067	16	105.0285	0.844	21	105.0285	0.844	21	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	106.4535	1.010	2	106.5024	0.403	5	105.0285	0.844	21	105.0285	0.844	21	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<3>,2|C<3>,2|C<4>,3|H<1>}	106.5350	0.541	3	106.5024	0.403	5	105.0285	0.844	21	105.0285	0.844	21	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	105.0250	0.000	1	105.0250	0.000	1	105.0250	0.000	1	105.0250	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>}	106.3270	0.000	1	106.3270	0.000	1	106.3270	0.000	1	106.3270	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.7440	0.000	1	105.7440	0.000	1	105.7440	0.000	1	105.7440	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	105.7230	0.000	1	105.7230	0.000	1	105.9310	0.087	2	105.9310	0.087	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	106.1390	0.000	1	106.1390	0.000	1	105.9310	0.087	2	105.9310	0.087	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:O-2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	105.7852	1.172	5	105.7852	1.374	5	105.7852	1.374	5	106.6733	2.305	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	107.7835	1.165	4	107.7835	1.357	4	107.7835	1.357	4	106.6733	2.305	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	104.5850	0.000	1	104.5850	0.000	1	105.5700	0.751	3	105.5700	0.751	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	106.0625	0.216	2	106.0625	0.047	2	105.5700	0.751	3	105.5700	0.751	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	105.7690	0.000	1	105.7690	0.000	1	105.7901	0.160	7	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	105.5813	0.263	3	105.5813	0.069	3	105.7901	0.160	7	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	105.4010	0.000	1	105.8635	0.428	2	105.7901	0.160	7	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	106.3260	0.000	1	105.8635	0.428	2	105.7901	0.160	7	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	106.2910	0.000	1	106.2910	0.000	1	105.7901	0.160	7	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>}	105.6570	0.000	1	105.6570	0.000	1	105.6570	0.000	1	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	104.4240	0.000	1	104.4240	0.000	1	104.4240	0.000	1	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C[6]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.8900	0.525	2	105.8900	0.275	2	105.8900	0.275	2	105.6720	0.299	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	107.4280	0.000	1	107.4280	0.000	1	107.3163	0.034	3	107.3163	0.034	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]O)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	107.2605	0.220	2	107.2605	0.048	2	107.3163	0.034	3	107.3163	0.034	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	106.5863	0.052	3	106.5863	0.003	3	106.6857	0.041	4	106.6570	0.035	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	106.9840	0.000	1	106.9840	0.000	1	106.6857	0.041	4	106.6570	0.035	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	106.6570	0.035	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5](C[5]C[5,6a]O)2(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(OC[6a])2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	107.5566	0.374	5	107.5566	0.140	5	107.4299	0.172	9	107.2075	0.393	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5](C[5]C[5,6a]O)2(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(OC[6a])2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	107.2715	0.461	4	107.2715	0.212	4	107.4299	0.172	9	107.2075	0.393	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O){5|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<2>,2|H<1>,4|C<3>}	106.2065	0.317	2	106.2065	0.101	2	106.2065	0.101	2	107.2075	0.393	11	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	106.1740	0.000	1	106.1740	0.000	1	106.1740	0.000	1	106.1740	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O){2|H<1>,6|C<3>}	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	107.6812	1.231	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	108.8150	0.440	2	108.8150	0.193	2	108.8150	0.193	2	107.6812	1.231	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H){2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	106.6580	0.122	2	106.6580	0.015	2	106.6580	0.015	2	107.6812	1.231	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,2|C<3>}	103.8510	0.000	1	103.8510	0.000	1	103.8510	0.000	1	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	104.6930	0.000	1	104.6930	0.000	1	104.6930	0.000	1	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	108.0410	0.000	1	108.0410	0.000	1	107.6185	0.357	2	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|O<2>}	107.1960	0.000	1	107.1960	0.000	1	107.6185	0.357	2	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,3|H<1>}	104.8580	0.000	1	104.8580	0.000	1	104.8580	0.000	1	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCC)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CCC)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.5805	0.305	2	107.5805	0.093	2	107.5783	0.046	3	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCN)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CCN)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.5740	0.000	1	107.5740	0.000	1	107.5783	0.046	3	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.2045	0.262	2	107.2045	0.069	2	107.2045	0.069	2	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	104.8900	0.000	1	104.8900	0.000	1	104.8900	0.000	1	106.5655	2.049	13	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	105.7690	0.000	1	105.7690	0.000	1	105.7690	0.000	1	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	108.6953	0.505	10	108.6953	0.255	10	108.6953	0.255	10	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	106.3620	0.361	2	106.3620	0.130	2	106.3620	0.130	2	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:N-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O)	C[5](C[5]C[5,6a]O)2(NC[6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(NC[6a]C)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	108.3825	0.071	6	108.3825	0.005	6	108.3825	0.005	6	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O){1|H<1>,7|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	107.1080	0.000	1	107.1080	0.000	1	106.4710	0.812	2	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	105.8340	0.000	1	105.8340	0.000	1	106.4710	0.812	2	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	105.7763	0.328	3	105.7763	0.108	3	105.7763	0.108	3	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	105.8540	0.000	1	105.8540	0.000	1	106.4205	0.216	4	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){2|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	106.4215	0.097	2	106.4215	0.009	2	106.4205	0.216	4	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	106.9850	0.000	1	106.9850	0.000	1	106.4205	0.216	4	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2{1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	108.2521	0.435	8	108.2521	0.190	8	108.2521	0.190	8	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){1|H<1>,7|C<3>}	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|C<4>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	106.9090	0.000	1	106.9090	0.000	1	107.1620	0.048	3	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H){2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	107.2670	0.000	1	107.2885	0.001	2	107.1620	0.048	3	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H){2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	107.3100	0.000	1	107.2885	0.001	2	107.1620	0.048	3	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN){4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	105.4510	0.000	1	105.4510	0.000	1	105.4510	0.000	1	107.5940	1.340	43	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[6a]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	107.9470	0.037	2	107.9470	0.001	2	107.9470	0.001	2	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	105.9160	0.000	1	105.9160	0.000	1	106.6578	0.398	5	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.8770	0.035	2	106.8770	0.001	2	106.6578	0.398	5	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.1390	0.000	1	106.1390	0.000	1	106.6578	0.398	5	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.4800	0.000	1	107.4800	0.000	1	106.6578	0.398	5	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.4833	0.352	3	106.4833	0.124	3	106.4833	0.124	3	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.6640	0.000	1	106.6640	0.000	1	106.7433	0.572	3	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.5360	0.000	1	107.5360	0.000	1	106.7433	0.572	3	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	106.0300	0.000	1	106.0300	0.000	1	106.7433	0.572	3	106.8618	0.472	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.0125	0.581	4	108.0125	0.337	4	108.0517	0.211	6	108.0961	0.259	12	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CCHH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.1300	0.153	2	108.1300	0.023	2	108.0517	0.211	6	108.0961	0.259	12	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.4600	0.793	2	108.4600	0.629	2	108.4270	0.213	4	108.0961	0.259	12	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH){2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.3940	0.075	2	108.3940	0.006	2	108.4270	0.213	4	108.0961	0.259	12	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	108.0961	0.259	12	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	108.0961	0.259	12	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	107.1210	0.045	2	107.1210	0.002	2	107.4490	0.324	3	107.4490	0.324	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	108.1050	0.000	1	108.1050	0.000	1	107.4490	0.324	3	107.4490	0.324	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CCHH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CCHH)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.7250	0.222	2	107.7250	0.049	2	108.4158	0.158	12	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4975	0.023	2	108.4975	0.001	2	108.4158	0.158	12	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.5398	0.305	6	108.5398	0.093	6	108.4158	0.158	12	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	108.8090	0.000	1	108.6530	0.049	2	108.4158	0.158	12	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4970	0.000	1	108.6530	0.049	2	108.4158	0.158	12	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	107.3630	0.000	1	107.2690	0.018	2	107.0203	0.194	3	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.1750	0.000	1	107.2690	0.018	2	107.0203	0.194	3	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	106.5230	0.000	1	106.5230	0.000	1	107.0203	0.194	3	108.1367	0.486	15	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	N[5a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O){1|N<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	107.9680	0.000	1	107.4930	0.199	3	107.4930	0.199	3	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	107.2555	0.243	2	107.4930	0.199	3	107.4930	0.199	3	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Br<1>,1|C<3>,4|H<1>}	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O){1|Br<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|Cl<1>,1|C<3>,4|H<1>}	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	107.7800	0.373	4	107.9953	0.224	6	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	108.4260	0.379	2	107.9953	0.224	6	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	108.9760	0.000	1	108.9760	0.000	1	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	107.2507	0.585	4	107.2507	0.342	4	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	108.0487	0.580	4	108.0487	0.336	4	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	107.5950	0.000	1	107.5950	0.000	1	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	107.4293	0.557	6	107.4293	0.311	6	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	107.6195	0.224	2	107.6195	0.050	2	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	107.5090	0.342	2	107.8855	0.275	11	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,5|H<1>}	107.4955	0.049	2	107.8855	0.275	11	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	108.7570	0.000	1	107.8855	0.275	11	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	107.9635	0.498	4	107.8855	0.275	11	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,5|H<1>}	107.5810	0.000	1	107.8855	0.275	11	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	108.5390	0.000	1	107.8855	0.275	11	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	107.3030	0.000	1	107.4275	0.212	6	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	107.4524	0.510	5	107.4275	0.212	6	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	107.3010	0.000	1	107.3010	0.000	1	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	107.7910	0.000	1	107.7910	0.000	1	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,5|H<1>}	108.1230	0.000	1	108.1230	0.000	1	107.7290	0.317	44	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|N<2>,1|S<2>,2|C<3>,5|H<1>}	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){3|C<3>,6|H<1>}	106.9800	0.051	2	106.9800	0.003	2	107.2143	0.166	3	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	107.6830	0.000	1	107.6830	0.000	1	107.2143	0.166	3	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|S<2>,4|C<3>,4|H<1>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,6|H<1>}	107.8980	0.358	2	107.8980	0.128	2	107.8980	0.128	2	107.6364	0.356	59	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	106.4514	1.186	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O){1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	105.6655	0.870	2	105.6655	0.758	2	105.6655	0.758	2	106.4514	1.186	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|S<2>,3|H<1>}	106.3705	1.380	2	106.3705	1.903	2	106.5347	1.032	3	106.4514	1.186	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|S<2>,4|H<1>}	106.8630	0.000	1	106.8630	0.000	1	106.5347	1.032	3	106.4514	1.186	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	106.4514	1.186	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	105.8787	4.197	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	104.1840	0.489	2	104.1840	0.239	2	104.1840	0.239	2	105.8787	4.197	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	105.8787	4.197	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|H<1>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,3|C<3>,3|H<1>}	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	108.6280	0.352	2	108.6280	0.124	2	108.6280	0.124	2	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.0960	0.865	2	108.0960	0.749	2	108.0960	0.749	2	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,4|H<1>}	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	107.1180	0.757	2	107.1180	0.572	2	107.1180	0.572	2	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	106.3760	0.000	1	106.4095	0.002	2	106.8238	0.420	4	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	106.4430	0.000	1	106.4095	0.002	2	106.8238	0.420	4	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.2380	0.755	2	107.2380	0.570	2	106.8238	0.420	4	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.1045	0.125	2	108.1045	0.016	2	107.9640	0.049	4	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O){1|Fe<10>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	107.8235	0.228	2	107.8235	0.052	2	107.9640	0.049	4	107.5248	0.610	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	106.0130	0.000	1	106.0130	0.000	1	106.0130	0.000	1	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O){2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH){2|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	106.3553	0.557	3	106.3553	0.310	3	106.3553	0.310	3	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.2915	0.359	4	108.2915	0.129	4	108.2938	0.107	8	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.5215	0.347	2	108.5215	0.121	2	108.2938	0.107	8	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.0705	0.200	2	108.0705	0.040	2	108.2938	0.107	8	107.5478	0.995	14	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	108.0051	0.953	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	107.8563	0.436	3	107.8563	0.190	3	107.8563	0.190	3	108.0051	0.953	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	108.0051	0.953	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O)	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,2|O<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.5594	0.410	10	108.5594	0.168	10	108.5594	0.168	10	108.0051	0.953	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	108.0051	0.953	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	108.0051	0.953	17	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	107.7815	1.389	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O)	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	107.7815	1.389	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H){1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|C<3>,1|S<4>,4|H<1>}	104.4360	0.000	1	104.4360	0.000	1	104.4360	0.000	1	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	106.9700	0.000	1	106.9700	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	108.0190	0.000	1	108.0190	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.1800	0.000	1	108.1800	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	107.9850	0.000	1	107.9850	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	107.9695	0.250	2	107.9695	0.062	2	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	107.9350	0.324	2	107.9350	0.105	2	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	108.1260	0.000	1	108.1260	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	108.0510	0.291	2	108.0510	0.085	2	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5698	0.656	5	108.5698	0.430	5	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	108.1490	0.000	1	108.1490	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.4550	0.000	1	107.4550	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|B<3>,2|C<4>,4|H<1>}	108.6610	0.000	1	108.6610	0.000	1	108.1213	0.289	19	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.2935	1.227	2	107.2935	1.505	2	107.3253	0.756	3	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.3890	0.000	1	107.3890	0.000	1	107.3253	0.756	3	107.8573	0.936	23	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.7566	0.395	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	108.0340	0.000	1	108.0340	0.000	1	107.5640	0.442	2	107.7566	0.395	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	107.0940	0.000	1	107.0940	0.000	1	107.5640	0.442	2	107.7566	0.395	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.7470	0.000	1	106.7470	0.000	1	107.9547	1.095	3	107.7566	0.395	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5585	0.046	2	108.5585	0.002	2	107.9547	1.095	3	107.7566	0.395	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:Se-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	107.7953	0.335	3	107.7953	0.112	3	107.7953	0.112	3	107.7566	0.395	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.9410	0.000	1	107.9410	0.000	1	107.5340	0.422	6	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.0345	0.006	2	107.0345	0.000	2	107.5340	0.422	6	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	108.4450	0.000	1	108.4450	0.000	1	107.5340	0.422	6	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.9050	0.000	1	107.9050	0.000	1	107.5340	0.422	6	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	106.8440	0.000	1	106.8440	0.000	1	107.5340	0.422	6	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	108.1940	0.000	1	107.9367	0.050	3	107.9367	0.050	3	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	107.8080	0.024	2	107.9367	0.050	3	107.9367	0.050	3	107.6682	0.317	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	108.7230	0.156	3	108.7230	0.024	3	108.3305	0.252	6	108.3769	0.225	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	107.9930	0.000	1	107.9930	0.000	1	108.3305	0.252	6	108.3769	0.225	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	107.5350	0.000	1	107.5350	0.000	1	108.3305	0.252	6	108.3769	0.225	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.2860	0.000	1	108.2860	0.000	1	108.3305	0.252	6	108.3769	0.225	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:S-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,2|H<1>,4|C<4>}	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	108.3769	0.225	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	107.6930	0.000	1	107.6930	0.000	1	107.6296	0.251	5	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	106.8490	0.000	1	107.4220	0.280	3	107.6296	0.251	5	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.7085	0.258	2	107.4220	0.280	3	107.6296	0.251	5	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	108.1890	0.000	1	108.1890	0.000	1	107.6296	0.251	5	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	105.7770	0.000	1	105.7770	0.000	1	106.7350	0.815	3	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	106.8580	0.000	1	106.8580	0.000	1	106.7350	0.815	3	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	107.5700	0.000	1	107.5700	0.000	1	106.7350	0.815	3	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	107.3900	0.600	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	107.3080	0.343	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:O-1:	C[6]-4:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	107.3080	0.343	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<2>,4|C<3>}	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	107.8483	0.941	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	107.8483	0.941	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-3:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	107.8483	0.941	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3040	0.216	2	108.3040	0.047	2	108.3339	0.039	8	107.9108	0.835	10	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3438	0.211	6	108.3438	0.044	6	108.3339	0.039	8	107.9108	0.835	10	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a]){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	107.9108	0.835	10	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	107.9108	0.835	10	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	107.6130	0.000	1	107.6130	0.000	1	108.3755	0.869	6	108.3755	0.869	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	108.4110	0.047	2	108.6193	0.131	3	108.3755	0.869	6	108.3755	0.869	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,5|H<1>}	109.0360	0.000	1	108.6193	0.131	3	108.3755	0.869	6	108.3755	0.869	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	109.6800	0.000	1	109.6800	0.000	1	108.3755	0.869	6	108.3755	0.869	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	107.1020	0.000	1	107.1020	0.000	1	108.3755	0.869	6	108.3755	0.869	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,4|H<1>}	108.5730	0.000	1	108.5730	0.000	1	106.2315	10.965	2	106.2315	10.965	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	103.8900	0.000	1	103.8900	0.000	1	106.2315	10.965	2	106.2315	10.965	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C){3|H<1>,4|C<3>}	105.4720	0.000	1	105.4720	0.000	1	105.4720	0.000	1	105.4195	0.006	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	105.4195	0.006	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-3:O[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	104.3510	0.000	1	104.3510	0.000	1	104.3510	0.000	1	104.3510	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	105.4290	0.000	1	105.4290	0.000	1	105.4290	0.000	1	105.6750	0.114	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	105.9380	0.330	2	105.9380	0.109	2	105.7242	0.124	5	105.6750	0.114	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	105.6560	0.450	2	105.6560	0.202	2	105.7242	0.124	5	105.6750	0.114	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	105.4330	0.000	1	105.4330	0.000	1	105.7242	0.124	5	105.6750	0.114	6	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	106.8060	0.000	1	106.8060	0.000	1	106.8060	0.000	1	107.0310	0.282	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	106.6490	0.000	1	106.6490	0.000	1	107.1435	0.489	2	107.0310	0.282	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,4|H<1>}	107.6380	0.000	1	107.6380	0.000	1	107.1435	0.489	2	107.0310	0.282	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	105.7823	0.376	4	105.7823	0.141	4	105.7823	0.141	4	105.8082	0.109	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	105.8082	0.109	5	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	N[5]-3:C[5]-3:N[5a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a])	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a]){1|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.5990	0.660	2	105.5990	0.436	2	105.5990	0.436	2	107.5258	5.100	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-3:C-3:O-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]Mg)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OMg2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]Mg){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OMg2){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<3>,4|C<3>}	109.4525	0.125	2	109.4525	0.016	2	109.4525	0.016	2	107.5258	5.100	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	106.6120	0.547	2	106.6120	0.300	2	106.7540	0.111	6	107.1060	0.960	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	106.6575	0.220	2	106.8250	0.064	4	106.7540	0.111	6	107.1060	0.960	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	106.9925	0.180	2	106.8250	0.064	4	106.7540	0.111	6	107.1060	0.960	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	107.1060	0.960	7	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	107.6532	0.120	4	107.5944	0.028	5	107.5944	0.028	5	107.3888	0.098	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	107.3590	0.000	1	107.5944	0.028	5	107.5944	0.028	5	107.3888	0.098	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	106.9165	0.059	2	107.1317	0.065	4	107.1317	0.065	4	107.3888	0.098	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	107.3470	0.078	2	107.1317	0.065	4	107.1317	0.065	4	107.3888	0.098	9	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){5|H<1>,6|C<3>}	104.8765	0.069	2	104.8765	0.005	2	104.8765	0.005	2	104.8765	0.005	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	106.9253	0.294	3	106.9253	0.086	3	106.9253	0.086	3	106.9253	0.086	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C){3|C<3>,4|H<1>}	106.9260	0.441	2	106.9260	0.195	2	106.9260	0.195	2	107.4745	0.466	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	108.0030	0.000	1	108.0030	0.000	1	108.0230	0.001	2	107.4745	0.466	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CN[6]H)	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CN[6]H){2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	108.0430	0.000	1	108.0430	0.000	1	108.0230	0.001	2	107.4745	0.466	4	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	104.9460	0.000	1	104.9460	0.000	1	106.4713	0.751	6	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	106.3700	0.000	1	106.3700	0.000	1	106.4713	0.751	6	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	106.8225	0.558	2	106.8225	0.311	2	106.4713	0.751	6	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	106.9335	0.658	2	106.9335	0.433	2	106.4713	0.751	6	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	P[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	110.9740	0.000	1	110.9740	0.000	1	110.9740	0.000	1	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Cr)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Cr){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	107.8380	0.000	1	107.8380	0.000	1	107.9660	0.759	9	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	109.5890	0.000	1	108.7403	0.652	3	107.9660	0.759	9	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,3|C<4>,3|H<1>}	108.3160	0.472	2	108.7403	0.652	3	107.9660	0.759	9	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	107.8835	0.545	2	107.5270	0.497	5	107.9660	0.759	9	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni){1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	107.2893	0.796	3	107.5270	0.497	5	107.9660	0.759	9	107.5935	2.004	16	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,2|C<2>,3|H<1>}	103.4650	0.000	1	103.4650	0.000	1	103.4650	0.000	1	103.4650	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	107.2280	0.706	2	107.2280	0.498	2	107.2280	0.498	2	107.0503	0.344	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	107.0503	0.344	3	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	106.1960	0.000	1	106.1960	0.000	1	106.1960	0.000	1	106.1960	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	105.5790	0.000	1	105.5790	0.000	1	104.0285	4.808	2	104.0285	4.808	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,4|H<1>}	102.4780	0.000	1	102.4780	0.000	1	104.0285	4.808	2	104.0285	4.808	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NAlNi)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NAlNi){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	108.2120	0.000	1	108.2120	0.000	1	108.0595	0.047	2	108.0595	0.047	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NNiSi)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NNiSi){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	107.9070	0.000	1	107.9070	0.000	1	108.0595	0.047	2	108.0595	0.047	2	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:4:	6:3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C-4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<6>,3|H<1>}	103.5020	0.000	1	103.5020	0.000	1	103.5020	0.000	1	103.5020	0.000	1	107.0678	1.823	487	107.4307	4.694	1343
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,7|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	122.3343	0.505	3	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	123.1540	0.000	1	123.1540	0.000	1	123.1540	0.000	1	122.5555	0.716	2	122.3343	0.505	3	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	122.5555	0.716	2	122.3343	0.505	3	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|C<4>,2|O<2>,7|C<3>}	121.9762	0.534	4	121.9762	0.285	4	121.9762	0.285	4	121.9762	0.285	4	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){9|C<3>}	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	122.0513	0.179	3	122.0513	0.032	3	121.8247	0.227	4	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	121.1450	0.000	1	121.1450	0.000	1	121.8247	0.227	4	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.8620	0.000	1	121.8620	0.000	1	121.8620	0.000	1	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	120.9830	0.134	2	120.9830	0.018	2	121.2740	0.385	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.5710	1.085	2	121.5710	1.177	2	121.2740	0.385	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	121.2620	0.000	1	121.2620	0.000	1	121.2740	0.385	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	122.1460	0.000	1	122.1460	0.000	1	122.1372	1.333	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.1560	0.000	1	121.1560	0.000	1	122.1372	1.333	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.2930	0.000	1	121.2930	0.000	1	122.1372	1.333	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	124.0470	0.000	1	124.0470	0.000	1	122.1372	1.333	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	122.0440	0.000	1	122.0440	0.000	1	122.1372	1.333	5	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Si-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){1|Si<4>,1|C<4>,7|C<3>}	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	121.7928	0.759	19	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	122.1733	0.214	3	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	122.2470	0.629	2	122.2470	0.396	2	122.2470	0.396	2	122.1733	0.214	3	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	122.6315	0.091	2	122.6315	0.008	2	122.6315	0.008	2	122.6315	0.008	2	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	120.9920	0.000	1	120.9920	0.000	1	120.9920	0.000	1	121.0883	0.321	8	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,7|C<3>}	120.4380	0.000	1	121.2775	1.410	2	121.2775	1.410	2	121.0883	0.321	8	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	122.1170	0.000	1	121.2775	1.410	2	121.2775	1.410	2	121.0883	0.321	8	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	121.7110	0.000	1	121.7110	0.000	1	121.7110	0.000	1	121.0883	0.321	8	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	120.9767	0.038	3	120.9767	0.001	3	120.9767	0.001	3	121.0883	0.321	8	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	121.0883	0.321	8	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	120.5110	0.000	1	120.5110	0.000	1	120.0040	0.238	11	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<3>,6|C<4>}	120.0610	0.000	1	119.8900	0.073	3	120.0040	0.238	11	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	119.8045	0.319	2	119.8900	0.073	3	120.0040	0.238	11	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	119.9804	0.567	7	119.9804	0.322	7	120.0040	0.238	11	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|H<1>,1|P<4>,2|C<4>,6|C<3>}	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	120.6175	0.493	2	120.6175	0.243	2	120.6175	0.243	2	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	120.3010	0.000	1	120.3010	0.000	1	120.8016	0.112	9	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	120.8055	0.235	2	120.8055	0.055	2	120.8016	0.112	9	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	120.8173	0.465	3	120.8173	0.216	3	120.8016	0.112	9	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	120.9500	0.216	3	120.9500	0.046	3	120.8016	0.112	9	120.3066	0.453	23	121.1798	1.045	60	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5a,6,6]	4:4:3:	4:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5a,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6a]-3:P-4:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2){1|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os){1|Os<5>,2|C<4>,6|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5a,6]	4:3:4:	3:3:4:4:	3:3:3:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a])	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a]){1|H<1>,3|C<3>,6|C<4>}	122.9490	0.000	1	122.9490	0.000	1	122.9490	0.000	1	122.9490	0.000	1	122.9490	0.000	1	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:	3:4:2:4:	3:3:2:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-3:C[5a,6]-3:S[5a]-2:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	117.9520	0.427	3	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:	4:3:2:4:	3:3:2:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5a,6]-3:C[5,6]-3:N[5a]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,2|S<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){2|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	118.3230	0.029	2	117.9520	0.427	3	121.1738	1.765	68
818	474	727	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:	4:3:2:4:	3:3:2:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5a,6]-3:C[5,6]-3:S[5a]-2:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){1|N<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	118.3230	0.029	2	117.9520	0.427	3	121.1738	1.765	68