474	490	562	0:SP3_SP3_SP3	C[5,5,6]	C	Si[3x5]	4:2:2:4:	4:4:4:4:	4:3:3:3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2{2|C<3>,2|C<4>}	120.9210	0.000	1	120.9210	0.000	1	120.9470	0.001	2	120.9470	0.001	2	120.9470	0.001	2	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5,5,6]	C	Si[3x5]	4:2:2:4:	4:4:4:4:	4:3:3:3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2{2|C<4>,2|H<1>}	120.9730	0.000	1	120.9730	0.000	1	120.9470	0.001	2	120.9470	0.001	2	120.9470	0.001	2	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5,5]	C	Si[5]	3:4:3:4:	4:1:1:1:	4:3:4:4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]Si[5]C[5])(H)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C(C[5,5]C[5,5]Si[5]C[5])(H)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	110.3290	0.000	2	110.3290	0.000	2	110.3290	0.000	2	110.3290	0.000	2	110.3290	0.000	2	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5,6,6]	C	Si[5,6]	4:4:3:4:	4:4:4:1:	4:2:2:2:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:H-1:	C[5,6,6]-4:N[6]-2:O[5]-2:N-2:	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5])	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5]	C	Si[5,5]	3:4:4:4:	4:1:1:1:	4:4:3:4:	C[5,6a]-3:Si[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	Si[5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2	C(C[5]C[5,6a]Si[5,5]C)(H)3	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](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2{1|N<2>,2|H<1>,3|C<3>,4|C<4>}	C(C[5]C[5,6a]Si[5,5]C)(H)3	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>}	110.1465	7.076	2	110.1465	50.070	2	110.1465	50.070	2	110.1465	50.070	2	112.1480	30.459	4	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5]	C	Si[5,5]	4:4:4:4:	4:1:1:1:	4:4:3:4:	Si[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	Si[5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2	C(C[5]Si[5,5]C[5]C)(H)3	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]C[5,6]HH)(CH3)2{1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C(C[5]Si[5,5]C[5]C)(H)3	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>}	114.1495	5.028	2	114.1495	25.283	2	114.1495	25.283	2	114.1495	25.283	2	112.1480	30.459	4	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5]	C	Si[5]	4:4:4:1:	4:1:1:1:	4:2:4:4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C(C[5]C[5,6]Si[5]H)(H)3	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]Si[5]H)(H)3	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	117.2240	0.000	1	118.2985	2.309	2	118.2985	2.309	2	118.2985	2.309	2	118.2985	2.309	2	114.4577	27.285	11
474	490	562	0:SP3_SP3_SP3	C[5]	C	Si[5]	4:4:4:1:	4:1:1:1:	4:2:4:4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C(C[5]C[5,6]Si[5]H)(H)3	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]Si[5]H)(H)3	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	119.3730	0.000	1	118.2985	2.309	2	118.2985	2.309	2	118.2985	2.309	2	118.2985	2.309	2	114.4577	27.285	11
474	490	606	0:SP3_SP3_SP3	C[5,3x6]	C	Ge[5,3x6]	4:4:3:4:	4:4:4:1:	4:3:3:3:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C[5,3x6]-4:C-4:C-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:C[6,6]-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)	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)	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(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H){1|Ge<4>,2|H<1>,4|C<4>,5|C<3>}	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	114.3690	2.883	4
474	490	606	0:SP3_SP3_SP3	C[5]	C	Ge[5]	3:4:4:1:	4:1:1:1:	3:4:4:4:	P[5,6]-3:Ge[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	P[5,6]-3:C[5]-4:C-4:C-4:	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	C(C[5]P[5,6]Ge[5]H)(H)3	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	C(C[5]P[5,6]Ge[5]H)(H)3	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2{1|C<4>,1|P<3>,2|C<3>}	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	114.9777	2.102	3	114.3690	2.883	4
474	490	606	0:SP3_SP3_SP3	C[5]	C	Ge[5]	4:4:4:1:	4:3:1:1:	6:4:4:4:	Ge[5]-4:Ge[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:C-4:	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H)	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H){6|B<6>}	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2{2|C<4>,4|H<1>,5|B<6>}	114.2155	0.848	2	114.2155	0.719	2	114.2155	0.719	2	114.2155	0.719	2	114.9777	2.102	3	114.3690	2.883	4
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	2:2:3:4:	4:1:1:1:	3:4:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:3:2:4:	4:1:1:1:	3:4:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	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(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,1|O<1>,5|C<3>}	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:3:2:4:	4:4:1:1:	4:3:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH){1|O<1>,4|C<3>}	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	3:4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3)	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3){2|H<1>,4|C<3>}	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	107.6250	0.074	2	107.6250	0.005	2	107.6250	0.005	2	107.6250	0.005	2	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)	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(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O){2|H<1>,4|C<3>}	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	108.0685	0.548	2	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<3>,2|H<1>,2|O<1>}	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.0685	0.548	2	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:2:1:1:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	103.9403	1.102	3	103.9403	1.214	3	104.0567	0.864	4	104.0567	0.864	4	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:2:1:1:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	104.4060	0.000	1	104.4060	0.000	1	104.0567	0.864	4	104.0567	0.864	4	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:3:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.3775	0.062	2	105.5227	0.065	3	106.5655	2.524	6	106.5457	2.106	7	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|C<4>,3|H<1>}	105.8130	0.000	1	105.5227	0.065	3	106.5655	2.524	6	106.5457	2.106	7	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	109.3660	0.000	1	108.4555	1.658	2	106.5655	2.524	6	106.5457	2.106	7	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	107.5450	0.000	1	108.4555	1.658	2	106.5655	2.524	6	106.5457	2.106	7	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	105.9140	0.000	1	105.9140	0.000	1	106.5655	2.524	6	106.5457	2.106	7	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3){1|H<1>,1|S<4>,4|C<3>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	106.5457	2.106	7	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|C<4>,2|O<2>,5|C<3>}	103.7970	0.000	1	103.7970	0.000	1	103.7970	0.000	1	103.7970	0.000	1	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<4>,3|C<3>,4|H<1>}	108.3445	0.112	2	106.5740	9.410	3	106.5740	9.410	3	106.5740	9.410	3	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){3|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<3>,3|C<4>,4|H<1>}	103.0330	0.000	1	106.5740	9.410	3	106.5740	9.410	3	106.5740	9.410	3	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	104.7018	0.276	6	104.7018	0.076	6	104.7018	0.076	6	104.8370	0.846	9	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	103.9220	0.000	1	103.9220	0.000	1	103.9220	0.000	1	104.8370	0.846	9	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	105.7000	1.988	2	105.7000	3.954	2	105.7000	3.954	2	104.8370	0.846	9	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:2:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){1|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3)	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	107.3400	0.109	2	107.3400	0.012	2	107.3400	0.012	2	107.4585	0.626	4	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	107.4585	0.626	4	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP2_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	107.4585	0.626	4	106.3636	4.098	37	106.3636	4.098	37
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|H<1>,3|C<4>}	108.0680	0.074	2	108.0680	0.005	2	108.3217	0.196	3	107.3855	1.241	8	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<4>,3|H<1>}	108.8290	0.000	1	108.8290	0.000	1	108.3217	0.196	3	107.3855	1.241	8	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|Cl<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.4580	0.000	1	106.8238	1.022	5	106.8238	1.022	5	107.3855	1.241	8	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	106.3310	1.060	3	106.8238	1.022	5	106.8238	1.022	5	107.3855	1.241	8	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){2|O<2>,4|C<4>}	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.6680	0.000	1	106.8238	1.022	5	106.8238	1.022	5	107.3855	1.241	8	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:3:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:P[3x6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Cr)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Cr){1|H<1>,2|C<3>,4|C<4>}	104.6170	0.000	1	104.6170	0.000	1	104.7053	0.013	3	104.7053	0.013	3	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:3:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:P[3x6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Mo)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Mo){1|H<1>,2|C<3>,4|C<4>}	104.8360	0.000	1	104.8360	0.000	1	104.7053	0.013	3	104.7053	0.013	3	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:3:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:P[3x6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]W)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]W){1|H<1>,2|C<3>,4|C<4>}	104.6630	0.000	1	104.6630	0.000	1	104.7053	0.013	3	104.7053	0.013	3	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,6,6]-4:Cl-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH){1|C<3>,3|O<2>,4|H<1>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.0210	0.495	3	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]C)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]C){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	107.6355	0.313	2	107.6355	0.098	2	107.6355	0.098	2	108.0210	0.495	3	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6,6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3)	C(C[5,6,6]C[5,6,6]C[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]O[5,6]H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6]O[6,6])(H)3	O[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]O[5,6]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	106.9673	2.133	15	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:2:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(O[6]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3){1|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(O[6]C[6]){2|H<1>,4|C<4>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.1080	0.000	1	106.1080	0.000	1	106.5467	0.903	3	106.5467	0.903	3	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH){3|C<4>,3|H<1>}	105.8950	0.000	1	105.8950	0.000	1	106.5467	0.903	3	106.5467	0.903	3	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	107.6370	0.000	1	107.6370	0.000	1	106.5467	0.903	3	106.5467	0.903	3	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){2|C<3>,2|C<4>,4|H<1>}	105.4330	0.000	1	105.4330	0.000	1	105.4330	0.000	1	105.4330	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:4:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	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(C[5,6]C[5,6a]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH)	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(C[5,6]C[5,6a]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH){5|C<3>}	111.5210	0.737	2	111.5210	0.543	2	111.5210	0.543	2	111.5210	0.543	2	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:3:4:2:	4:3:4:1:	4:4:	C[5,6a]-3:N[5,6]-3:C-4:O[6]-2:	C[5,6]-4:C[6a]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6])	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	O[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	O[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC){1|C<3>,2|C<4>,2|H<1>}	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	108.1594	8.538	9	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	110.6760	0.834	4	110.6760	0.695	4	110.6760	0.695	4	108.1594	8.538	9	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	108.1594	8.538	9	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3)	C(C[5,6]C[5,6]N[5,5]O[6])(H)3	O[6](C[5,6]C[5,6]N[5,5]C)(C[6,6]C[5,6]C[6,6]C)	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[5,6]C[5,6]N[5,5]O[6])(H)3	O[6](C[5,6]C[5,6]N[5,5]C)(C[6,6]C[5,6]C[6,6]C){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	104.4345	0.363	2	104.4345	0.132	2	104.4345	0.132	2	108.1594	8.538	9	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3)	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[5,6]N[5,6]C[5]O[6])(H)3	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	108.1594	8.538	9	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO){2|H<1>,4|C<4>}	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.2772	1.366	5	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]C[6]O)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	105.1080	0.580	2	105.1080	0.336	2	105.1080	0.336	2	106.2772	1.366	5	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3){1|C<2>,1|H<1>,1|N<2>,2|C<4>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<2>,2|C<4>}	106.9640	0.000	1	106.9640	0.000	1	107.2980	0.223	2	106.2772	1.366	5	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3){2|H<1>,4|C<4>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	107.6320	0.000	1	107.6320	0.000	1	107.2980	0.223	2	106.2772	1.366	5	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){1|B<3>,1|C<4>,2|H<1>,2|O<2>}	106.0170	0.000	1	106.0170	0.000	1	103.1435	3.871	4	103.1435	3.871	4	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	102.1857	0.549	3	102.1857	0.302	3	103.1435	3.871	4	103.1435	3.871	4	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:2:2:4:	4:3:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	104.8780	0.000	1	104.8780	0.000	1	104.8780	0.000	1	104.8780	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	111.9760	0.175	2	111.9760	0.031	2	111.9760	0.031	2	111.9760	0.031	2	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3)	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	110.0570	0.151	2	110.0570	0.023	2	110.0570	0.023	2	109.1192	17.066	4	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]C[5,5,6,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,5,6,6]C[5]C)(C[6]C[5,6]CC)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,3|H<1>,5|C<4>}	C(C[5,6]C[5,5,6,6]C[5]O[6])(H)3	O[6](C[5,6]C[5,5,6,6]C[5]C)(C[6]C[5,6]CC){2|O<2>,3|C<4>,3|H<1>}	103.3000	0.000	1	103.3000	0.000	1	103.3000	0.000	1	109.1192	17.066	4	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]N)(O[6]C[6])(CH3)	C(C[5,6]C[5,5]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,5]C[5,6]C)(C[6]O[6]CC)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]N)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C(C[5,6]C[5,5]C[5,6]O[6])(H)3	O[6](C[5,6]C[5,5]C[5,6]C)(C[6]O[6]CC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	113.0630	0.000	1	113.0630	0.000	1	113.0630	0.000	1	109.1192	17.066	4	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO)	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO){1|O<1>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	103.0550	0.000	1	103.0550	0.000	1	103.0550	0.000	1	103.0550	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	622	0:SP3_SP3_SP3	C[5,6]	C	O[6]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	107.5686	12.458	36	107.3918	9.394	51
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	111.7710	2.130	3	111.7710	4.537	3	112.8866	3.177	18	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	112.2800	0.000	1	113.8135	4.703	2	112.8866	3.177	18	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	115.3470	0.000	1	113.8135	4.703	2	112.8866	3.177	18	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	112.0809	0.947	8	112.0809	0.897	8	112.8866	3.177	18	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Cl<1>,2|C<4>,8|C<3>}	111.5880	0.000	1	111.5880	0.000	1	112.8866	3.177	18	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)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[5,6,6a]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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)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[5,6,6a]2C){3|C<4>,8|C<3>}	115.1958	0.312	4	115.1958	0.097	4	112.8866	3.177	18	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,9|C<3>}	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]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[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	112.1850	0.000	1	113.3417	1.900	3	112.8850	0.711	8	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]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[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	113.9200	1.339	2	113.3417	1.900	3	112.8850	0.711	8	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)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[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[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)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[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	112.6110	0.209	5	112.6110	0.044	5	112.8850	0.711	8	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,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[5,6,6a]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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,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[5,6,6a]2C){1|C<4>,9|C<3>}	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	111.7100	0.343	4	111.7100	0.117	4	111.9333	1.942	6	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	110.2870	0.000	1	110.2870	0.000	1	111.9333	1.942	6	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	114.4730	0.000	1	114.4730	0.000	1	111.9333	1.942	6	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){3|C<4>,8|C<3>}	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]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[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	111.9373	0.690	4	111.9373	0.477	4	112.2644	0.893	5	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)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[5,6,6a]2C){3|C<4>,8|C<3>}	113.5730	0.000	1	113.5730	0.000	1	112.2644	0.893	5	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	111.1450	0.223	2	111.1450	0.050	2	111.1450	0.050	2	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	114.0690	0.000	1	114.0690	0.000	1	112.8580	2.933	2	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	111.6470	0.000	1	111.6470	0.000	1	112.8580	2.933	2	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){1|C<4>,9|C<3>}	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6a,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[5,6,6a]C[5,6,6]C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6a,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[5,6,6a]C[5,6,6]C){2|C<4>,8|C<3>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	112.5960	2.123	46	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[6,6,6a]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[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[6,6,6a](C[6,6,6a]C[6,6,6a]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>}	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.2068	6.045	6	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-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)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	111.2068	6.045	6	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6,6a]C[6,6a,6a]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]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6,6a]C[6,6a,6a]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]C[5,6,6]){4|C<4>,7|C<3>}	114.7640	0.000	1	114.7640	0.000	1	114.7640	0.000	1	111.2068	6.045	6	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){3|C<4>,7|C<3>}	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.2068	6.045	6	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	111.2068	6.045	6	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	111.2068	6.045	6	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	112.1950	0.000	1	112.1950	0.000	1	111.2650	1.730	2	110.7812	2.949	5	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-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)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	110.3350	0.000	1	110.3350	0.000	1	111.2650	1.730	2	110.7812	2.949	5	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	112.3240	0.000	1	112.3240	0.000	1	112.3240	0.000	1	110.7812	2.949	5	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	110.7812	2.949	5	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|C<4>,7|C<3>}	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	110.7812	2.949	5	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6a,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[5,6,6a]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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6a,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[5,6,6a]2C){1|C<4>,9|C<3>}	113.1605	0.524	2	113.1605	0.275	2	112.9295	0.180	4	112.9295	0.180	4	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,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[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	112.6985	0.230	2	112.6985	0.053	2	112.9295	0.180	4	112.9295	0.180	4	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6,6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3)	C(C[5,6,6]C[6,6,6a]C[5,6]N[5,6])(H)3	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[5,6,6]C[6,6,6a]C[5,6]N[5,6])(H)3	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	112.3527	2.687	62	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:2:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	115.8800	0.472	2	115.8800	0.223	2	115.8800	0.223	2	115.8800	0.223	2	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C[5,6]-4:Cl-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	108.3960	0.000	1	108.5854	0.533	7	108.5854	0.533	7	109.3409	1.957	11	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	108.8745	0.801	4	108.5854	0.533	7	108.5854	0.533	7	109.3409	1.957	11	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.1020	0.663	2	108.5854	0.533	7	108.5854	0.533	7	109.3409	1.957	11	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	109.3409	1.957	11	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	109.9200	0.000	2	109.9200	0.000	2	109.9200	0.000	2	109.3409	1.957	11	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3)	C(C[5,6]C[6,6a]N[5,6]S[5])(H)3	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(C[5,6]C[6,6a]N[5,6]S[5])(H)3	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	109.3409	1.957	11	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	110.2822	0.549	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(H)3	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(H)3	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|O<2>}	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	110.2822	0.549	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.7405	0.211	2	110.6117	0.072	3	110.6117	0.072	3	110.2822	0.549	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	110.3540	0.000	1	110.6117	0.072	3	110.6117	0.072	3	110.2822	0.549	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	4:3:2:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.3180	0.274	2	110.3180	0.075	2	110.3180	0.075	2	110.3180	0.075	2	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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])(CH3)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[6,6a](C[5,6]C[5,6]N[5]C)(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]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	112.0630	0.000	1	112.0630	0.000	1	110.6063	1.810	3	112.0372	6.004	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]H)(N[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[6,6a](C[5,6]C[5,6]N[5]C)(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]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	109.8780	0.662	2	109.8780	0.438	2	110.6063	1.810	3	112.0372	6.004	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[5,6]C[5,6]O[5]C)(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[5,6]CC)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	115.7710	0.000	1	115.7710	0.000	1	114.1835	5.040	2	112.0372	6.004	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[5,6]C[5,6]O[5]C)(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]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.5960	0.000	1	112.5960	0.000	1	114.1835	5.040	2	112.0372	6.004	5	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(F)3	C[6,6a](C[5,6]C[5,5]N[5,6]C)(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]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[6,6a]C[5,5]N[5,6])(F)3	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.6540	0.000	1	110.1203	1.772	3	110.1203	1.772	3	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(F)3	C[6,6a](C[5,6]C[5,5]N[5,6]C)(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]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[6,6a]C[5,5]N[5,6])(F)3	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.3535	0.125	2	110.1203	1.772	3	110.1203	1.772	3	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(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[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	114.7220	0.000	1	114.7220	0.000	1	112.4470	5.393	6	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(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]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.7170	0.000	1	109.7170	0.000	1	112.4470	5.393	6	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(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)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.8670	0.000	1	111.8670	0.000	1	112.4470	5.393	6	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]H)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(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]O[6]C)(C[5]C[5]H)(CH3){1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.8080	0.000	1	109.8080	0.000	1	112.4470	5.393	6	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	114.2840	0.537	2	114.2840	0.289	2	112.4470	5.393	6	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]C)(N[5]C[5,6a]C)(CH3)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[6,6a](C[5,6]C[5,6]N[5]C)(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]C[6]C)(N[5]C[5,6a]C)(CH3){2|H<1>,5|C<3>}	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[6,6a](C[5,6]N[5,6]C[5]C)(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]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3){1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	108.5320	0.000	1	108.5320	0.000	1	108.6453	0.068	3	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[6,6a](C[5,6]N[5,6]C[5]C)(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]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,5|C<3>}	108.7020	0.342	2	108.7020	0.117	2	108.6453	0.068	3	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3)	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[6,6a](C[5,6]N[5,6]C[5]C)(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]H)(N[5,6]C[5]N[6])(CH3){2|H<1>,6|C<3>}	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	110.9547	5.069	14	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(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[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	113.5340	0.000	1	113.5340	0.000	1	110.3815	19.877	2	110.3815	19.877	2	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4: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])(CCHH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	107.2290	0.000	1	107.2290	0.000	1	110.3815	19.877	2	110.3815	19.877	2	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HH)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(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)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	107.9360	0.000	1	107.9360	0.000	1	108.7830	1.435	2	108.7830	1.435	2	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]N[6]H)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(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]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	109.6300	0.000	1	109.6300	0.000	1	108.7830	1.435	2	108.7830	1.435	2	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4: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]HH)(CCHH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(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[6]N[5]C)(C[5]C[5]HH)(CCHH){1|C<4>,3|C<3>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(CCH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,5,6]C[6,6a]C[5])(H)3	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<4>,4|C<3>,7|H<1>}	C(C[5,6]C[5,5,6]C[6,6a]C[5])(H)3	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.6736	4.957	50	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5,6]	C	C[6a]	4:3:4:4:	4:2:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO){2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	107.3825	0.394	2	107.3825	0.155	2	107.3825	0.155	2	107.3825	0.155	2	107.3825	0.155	2	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C(C[5]C[6a]O[5]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	108.6270	0.445	3	108.6270	0.198	3	108.6270	0.198	3	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.5060	0.000	1	110.5060	0.000	1	111.6660	0.743	5	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	111.3680	0.000	1	111.3680	0.000	1	111.6660	0.743	5	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	112.4855	0.402	2	112.1520	0.415	3	111.6660	0.743	5	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]O[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	111.4850	0.000	1	112.1520	0.415	3	111.6660	0.743	5	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	C(C[5]C[6a]O[5]2)(H)3	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(H)3	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C(C[5]C[6a]O[5]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.8050	0.000	1	111.8050	0.000	1	111.4080	0.315	2	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C(C[5]C[6a]O[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<3>,1|H<1>,3|C<4>}	111.0110	0.000	1	111.0110	0.000	1	111.4080	0.315	2	110.9032	2.666	11	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:F-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	108.9240	0.000	1	109.9015	1.911	2	109.9015	1.911	2	109.9015	1.911	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:F-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	110.8790	0.000	1	109.9015	1.911	2	109.9015	1.911	2	109.9015	1.911	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:2:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	C(C[5]C[6a]O[5]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:3:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	110.9940	0.000	1	110.9940	0.000	1	109.8415	2.657	2	111.1987	6.854	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:3:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	108.6890	0.000	1	108.6890	0.000	1	109.8415	2.657	2	111.1987	6.854	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:3:1:1:	3:3:4:	C[6a]-3:S[5]-2:S[5]-2:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH)	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(C[5]S[5]2C)	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH){2|C<3>,2|H<1>,2|S<2>}	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(C[5]S[5]2C){2|H<1>,3|C<3>}	113.9130	0.000	1	113.9130	0.000	1	113.9130	0.000	1	111.1987	6.854	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:2:2:4:	4:4:1:1:	3:3:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	112.8955	1.452	2	112.8955	2.107	2	112.8955	2.107	2	112.8955	2.107	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|As<5>,2|H<1>,3|C<3>}	108.4400	0.000	1	108.4400	0.000	1	108.7320	0.171	2	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	109.0240	0.000	1	109.0240	0.000	1	108.7320	0.171	2	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[5,6a]C[6a]O[5])(H)3	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(H)3	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.3360	0.071	2	115.3360	0.005	2	115.3360	0.005	2	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	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(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	114.4480	0.775	2	114.2070	0.475	3	114.2070	0.475	3	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	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(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.7250	0.000	1	114.2070	0.475	3	114.2070	0.475	3	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	110.6608	0.995	4	110.6608	0.989	4	110.7190	0.506	7	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.8730	0.011	2	110.8730	0.000	2	110.7190	0.506	7	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3){2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Rh<4>,1|B<4>,1|C<3>,1|O<2>,2|H<1>}	110.6440	0.000	1	110.6440	0.000	1	110.7190	0.506	7	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	110.4870	0.000	1	110.6515	0.054	2	114.4907	6.447	8	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	110.8160	0.000	1	110.6515	0.054	2	114.4907	6.447	8	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	117.5550	0.000	1	117.5550	0.000	1	114.4907	6.447	8	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	116.3830	0.000	1	116.3830	0.000	1	114.4907	6.447	8	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.1713	0.507	4	115.1713	0.257	4	114.4907	6.447	8	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:S[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[6a]N[5]S[5])(H)3	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[6a]N[5]S[5])(H)3	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.0240	0.273	2	115.0240	0.074	2	115.0240	0.074	2	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]N[5,5]C[6a]O[5])(H)3	C[6a](C[5]N[5,5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[5]N[5,5]C[6a]O[5])(H)3	C[6a](C[5]N[5,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	C(C[5]C[6a]N[5]O[5])(H)3	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1430	0.000	1	115.1430	0.000	1	115.1430	0.000	1	112.9010	6.530	29	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:3:1:1:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(COO)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	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(C[5]C[6a]C[5]O[5])(COO)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	112.7035	3.572	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	109.7710	0.000	1	109.7710	0.000	1	111.7640	5.207	3	112.7035	3.572	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	111.2680	0.000	1	111.2680	0.000	1	111.7640	5.207	3	112.7035	3.572	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.2530	0.000	1	114.2530	0.000	1	111.7640	5.207	3	112.7035	3.572	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CCO)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(CCO)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	112.7035	3.572	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	112.7035	3.572	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[5]-4:S-4:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	114.3770	0.000	1	114.3770	0.000	1	114.3770	0.000	1	114.3233	1.791	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.6340	0.000	1	115.6340	0.000	1	115.6340	0.000	1	114.3233	1.791	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	114.3233	1.791	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:3:1:	3:3:4:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	115.4900	0.437	2	115.4900	0.191	2	115.4900	0.191	2	115.4900	0.191	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.4650	0.048	2	112.4650	0.002	2	112.4650	0.002	2	111.4157	2.164	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,2|H<1>}	110.1220	0.456	3	110.1220	0.208	3	110.1220	0.208	3	111.4157	2.164	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:2:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.1980	0.000	1	113.1980	0.000	1	113.1980	0.000	1	111.4157	2.164	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	114.1730	0.382	2	114.1730	0.146	2	114.1730	0.146	2	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,3|C<3>,3|H<1>}	112.3070	0.000	1	112.3070	0.000	1	112.9335	0.785	2	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	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(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.5600	0.000	1	113.5600	0.000	1	112.9335	0.785	2	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.3110	0.284	4	114.3110	0.081	4	114.3110	0.081	4	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3)	C(C[5]C[6a]N[5]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[6a]N[5]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	110.7050	0.000	1	110.7050	0.000	1	109.4574	1.198	5	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3)	C(C[5]C[6a]N[5]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3){1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]N[5]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	109.1455	0.974	4	109.1455	0.948	4	109.4574	1.198	5	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3)	C(C[5]C[6a]N[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]N[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	114.3975	0.326	2	114.3975	0.106	2	114.3975	0.106	2	112.5026	5.618	15	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:4:2:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3)	C(C[5]C[6a]N[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]N[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.0120	0.489	2	114.0120	0.239	2	114.0120	0.239	2	114.0120	0.239	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	B[5,5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C(C[5]B[5,5]C[6a]C[5])(H)3	C[6a](C[5]B[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>,4|C<4>}	C(C[5]B[5,5]C[6a]C[5])(H)3	C[6a](C[5]B[5,5]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C(C[5]C[5,6]C[6a]C[5])(F)3	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[6a]C[5])(F)3	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C(C[5]C[5,6a]2C[6a])(H)3	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]2C[6a])(H)3	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.0530	0.000	1	112.7755	0.154	2	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.4980	0.000	1	112.7755	0.154	2	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	113.5690	0.000	1	113.5690	0.000	1	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	113.5920	0.000	1	113.5920	0.000	1	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.7580	0.000	1	113.7580	0.000	1	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.2030	0.000	1	114.2030	0.000	1	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.5910	0.000	1	110.5910	0.000	1	113.0377	1.457	7	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]N[5])(H)3	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(H)3	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	113.6700	0.000	1	113.6700	0.000	1	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.7480	0.174	5	114.7480	0.030	5	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.2480	0.000	1	114.2480	0.000	1	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.3560	0.000	1	115.3560	0.000	1	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	109.7370	0.000	1	109.7370	0.000	1	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.8270	0.000	1	111.7936	2.067	8	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	109.5170	0.000	1	111.7936	2.067	8	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.4020	0.000	1	111.7936	2.067	8	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.0290	0.000	1	111.7936	2.067	8	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	111.3935	0.789	4	111.7936	2.067	8	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	113.9817	0.667	3	113.9817	0.444	3	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	110.9680	0.000	1	110.9680	0.000	1	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	115.4410	0.447	4	115.4410	0.199	4	113.4311	3.642	25	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:Br-1:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H)	C(C[5]N[5,6]C[6a]C[5])(Br)2(H)	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H){3|H<1>,4|C<3>}	C(C[5]N[5,6]C[6a]C[5])(Br)2(H)	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	113.2488	2.882	39	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[6a](C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]H)2	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>}	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[6a](C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	110.6540	0.173	2	110.6540	0.030	2	110.6540	0.030	2	113.2828	2.773	10	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	113.6312	0.353	4	113.9196	0.509	5	113.9196	0.509	5	113.2828	2.773	10	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	115.0730	0.000	1	113.9196	0.509	5	113.9196	0.509	5	113.2828	2.773	10	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	113.2828	2.773	10	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	C[6a](C[5]C[5,6a]N[5,5a]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	C[6a](C[5]C[5,6a]N[5,5a]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	114.9080	0.614	2	114.9080	0.377	2	114.9080	0.377	2	113.2828	2.773	10	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C(C[5]C[6a]C[5]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,3|C<3>,3|H<1>}	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	113.5067	2.656	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]N[5]2)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH){2|H<1>,7|C<3>}	C(C[5]C[6a]N[5]2)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<2>,2|H<1>,4|C<3>}	114.4455	0.151	2	114.4455	0.023	2	114.4455	0.023	2	113.5067	2.656	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-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)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)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){1|Si<4>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.6760	0.000	1	111.6760	0.000	1	111.7195	0.004	2	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-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)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	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(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	111.7630	0.000	1	111.7630	0.000	1	111.7195	0.004	2	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.2160	0.000	1	112.2160	0.000	1	110.5896	5.327	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.5910	0.000	1	113.5910	0.000	1	110.5896	5.327	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.7580	0.000	1	107.7580	0.000	1	110.5896	5.327	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	109.5840	0.000	1	109.5840	0.000	1	110.5896	5.327	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.7990	0.000	1	109.7990	0.000	1	110.5896	5.327	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.9960	0.000	1	110.9960	0.000	1	112.9736	1.350	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.0460	0.000	1	113.0460	0.000	1	112.9736	1.350	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	113.2190	0.000	1	113.2190	0.000	1	112.9736	1.350	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.8035	0.217	2	113.8035	0.047	2	112.9736	1.350	5	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	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(C[5]C[6a]C[5]N[5])(CCO)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	111.2650	0.000	1	111.2650	0.000	1	113.5500	3.952	3	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	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(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	114.5030	0.000	1	114.5030	0.000	1	113.5500	3.952	3	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	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(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	114.8820	0.000	1	114.8820	0.000	1	113.5500	3.952	3	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	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(C[5]C[6a]C[5]N[5])(NOO)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.8248	5.313	19	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.2880	0.000	1	114.2880	0.000	1	112.0375	10.130	2	112.2933	4.916	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.7870	0.000	1	109.7870	0.000	1	112.0375	10.130	2	112.2933	4.916	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:2:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	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(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.0250	0.000	1	114.0250	0.000	1	112.5490	4.357	2	112.2933	4.916	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:2:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	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(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	111.0730	0.000	1	111.0730	0.000	1	112.5490	4.357	2	112.2933	4.916	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.1230	0.000	1	109.1230	0.000	1	109.4800	0.102	3	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.6585	0.117	2	109.6585	0.014	2	109.4800	0.102	3	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.0430	0.198	2	114.0430	0.039	2	114.0430	0.039	2	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.9470	0.000	1	111.9470	0.000	1	111.9470	0.000	1	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	C(C[5]C[5,6a]C[6a]N[5])(COO)2(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(COO)2(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	112.2440	0.612	2	112.2440	0.375	2	112.2440	0.375	2	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.9420	0.000	1	113.9420	0.000	1	113.8433	0.022	3	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.7940	0.170	2	113.7940	0.029	2	113.8433	0.022	3	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,3|H<1>}	113.7845	1.133	2	113.7845	1.285	2	113.7845	1.285	2	112.4662	3.600	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	112.9938	2.503	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	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(C[5]C[6a]C[5]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	112.9938	2.503	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH){2|H<1>,7|C<3>}	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<2>,2|H<1>,4|C<3>}	113.2945	0.462	2	113.2945	0.213	2	113.2945	0.213	2	112.9938	2.503	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	114.2760	0.000	1	114.2760	0.000	1	111.2410	11.154	3	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	107.6630	0.000	1	107.6630	0.000	1	111.2410	11.154	3	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.7840	0.000	1	111.7840	0.000	1	111.2410	11.154	3	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.2240	0.426	2	111.2240	0.181	2	111.2240	0.181	2	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	112.2879	1.041	8	112.2311	0.976	9	112.2461	0.870	10	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	111.7770	0.000	1	112.2311	0.976	9	112.2461	0.870	10	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.3810	0.000	1	112.3810	0.000	1	112.2461	0.870	10	111.7971	2.449	16	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.4530	0.518	2	109.4530	0.268	2	109.4530	0.268	2	109.4530	0.268	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:3:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.5435	0.370	2	114.5435	0.137	2	114.5435	0.137	2	114.5435	0.137	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.4455	2.170	2	110.4455	4.709	2	110.4455	4.709	2	110.3185	2.397	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	110.3185	2.397	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5]){2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	110.3185	2.397	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	111.1820	0.000	1	111.1820	0.000	1	112.1290	1.794	2	112.1290	1.794	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	113.0760	0.000	1	113.0760	0.000	1	112.1290	1.794	2	112.1290	1.794	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.7820	0.914	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	111.7820	0.914	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	111.7820	0.914	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	111.7820	0.914	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	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(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,3|H<1>,4|C<3>}	113.1080	0.000	1	113.1080	0.000	1	113.1080	0.000	1	113.1080	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.6500	2.500	2	109.6662	1.242	23	109.6662	1.242	23	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	109.2227	0.370	3	109.6662	1.242	23	109.6662	1.242	23	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	109.5655	0.914	14	109.6662	1.242	23	109.6662	1.242	23	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	109.0660	0.000	1	109.6662	1.242	23	109.6662	1.242	23	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	109.4570	0.645	3	109.6662	1.242	23	109.6662	1.242	23	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	112.6710	0.000	1	112.6710	0.000	1	110.0690	4.867	6	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	108.7142	0.873	4	109.5486	4.053	5	110.0690	4.867	6	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.8860	0.000	1	109.5486	4.053	5	110.0690	4.867	6	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[3,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3)	C(C[5]N[3,5]C[6a]C[5])(F)3	C[6a](C[5]N[3,5]C[5]C)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3){1|C<4>,2|H<1>,3|C<3>,3|F<1>}	C(C[5]N[3,5]C[6a]C[5])(F)3	C[6a](C[5]N[3,5]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|F<1>,2|H<1>,3|C<4>}	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]N[5,5]C[6a]C[5])(H)3	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]N[5,5]C[6a]C[5])(H)3	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,4|H<1>}	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	109.8898	3.197	32	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(C[5]N[5,5]C[6a]C[5])(COO)(H)2	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[5]N[5,5]C[6a]C[5])(COO)(H)2	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH)	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:2:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	N[5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	108.9630	0.000	1	109.9575	1.978	2	109.9575	1.978	2	109.9575	1.978	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:2:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	N[5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	110.9520	0.000	1	109.9575	1.978	2	109.9575	1.978	2	109.9575	1.978	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:2:	4:3:1:1:	3:3:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	109.0296	1.582	5	109.0296	2.502	5	109.0296	2.502	5	109.0296	2.502	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:2:	4:3:4:1:	4:3:3:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,4|H<1>}	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	106.4110	0.000	1	106.4110	0.000	1	106.4110	0.000	1	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,3|C<3>,3|H<1>}	109.8630	0.000	1	109.4725	0.305	2	109.3863	0.175	3	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	109.0820	0.000	1	109.4725	0.305	2	109.3863	0.175	3	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(F)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	109.2140	0.000	1	109.2140	0.000	1	109.3863	0.175	3	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	111.8190	0.000	1	111.8190	0.000	1	111.9621	0.275	7	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	112.3250	0.000	1	112.3250	0.000	1	111.9621	0.275	7	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	111.5270	0.269	2	111.5827	0.045	3	111.9621	0.275	7	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	111.6940	0.000	1	111.5827	0.045	3	111.9621	0.275	7	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	111.8950	0.000	1	111.8950	0.000	1	111.9621	0.275	7	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3){1|S<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.9480	0.000	1	112.9480	0.000	1	111.9621	0.275	7	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	C(C[5]C[6a]C[5]O[5])(H)2(I)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(H)2(I)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|P<4>,4|H<1>}	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3)	C(C[5]C[6a]C[5]S[5])(F)3	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]S[5])(F)3	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	110.3131	4.247	13	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	112.4010	0.000	1	112.4010	0.000	1	110.6355	6.234	2	110.6355	6.234	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.8700	0.000	1	108.8700	0.000	1	110.6355	6.234	2	110.6355	6.234	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	106.1480	0.850	2	106.1480	0.722	2	108.3023	6.447	4	108.0820	5.078	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	110.6230	0.000	1	110.4565	0.055	2	108.3023	6.447	4	108.0820	5.078	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	110.2900	0.000	1	110.4565	0.055	2	108.3023	6.447	4	108.0820	5.078	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	108.0820	5.078	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	109.3720	0.000	1	109.3720	0.000	1	111.2080	6.742	2	111.5700	3.764	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	113.0440	0.000	1	113.0440	0.000	1	111.2080	6.742	2	111.5700	3.764	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH)	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	111.5700	3.764	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH)	C(C[5]C[6a]C[5]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	110.0555	0.794	2	110.0555	0.631	2	110.0555	0.631	2	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3)	C(C[5]C[6a]C[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,3|C<3>,3|C<4>}	110.9560	0.000	1	110.9560	0.000	1	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	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>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.8750	0.000	1	108.8750	0.000	1	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.2040	0.000	1	112.2040	0.000	1	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	113.5310	0.000	1	113.9033	0.041	7	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	113.9653	0.129	6	113.9033	0.041	7	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.0620	0.000	1	111.0620	0.000	1	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	111.4560	0.000	1	111.4560	0.000	1	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	111.4740	0.000	1	111.4740	0.000	1	112.5654	2.816	13	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	C(C[5]C[6a]N[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]N[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){2|C<3>,2|C<4>,4|H<1>}	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	112.0777	4.258	17	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	C(C[5]C[5,5a]C[6a]C[5])(H)3	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C(C[5]C[5,5a]C[6a]C[5])(H)3	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH)	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	114.6310	0.000	1	114.6310	0.000	1	112.1530	12.281	2	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH)	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,3|H<1>}	109.6750	0.000	1	109.6750	0.000	1	112.1530	12.281	2	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.3520	0.000	2	112.3520	0.000	2	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	113.2520	0.000	1	113.2520	0.000	1	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.2330	0.000	1	112.7130	0.267	4	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.8730	0.497	3	112.7130	0.267	4	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.9088	1.017	6	110.9088	1.035	6	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	114.2530	0.000	1	114.2530	0.000	1	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,4|H<1>}	113.7530	0.559	2	113.7530	0.312	2	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3){2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,5|H<1>}	110.5110	0.000	1	110.5110	0.000	1	112.1489	1.896	17	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI)	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	113.0510	0.000	1	113.0510	0.000	1	112.2490	1.286	2	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI)	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	111.4470	0.000	1	111.4470	0.000	1	112.2490	1.286	2	111.8392	2.944	24	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH)	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	109.1620	7.907	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	109.1620	7.907	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS)	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	109.1620	7.907	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH)	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.5930	1.520	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	108.8000	1.239	2	108.8000	1.535	2	108.8000	1.535	2	109.5930	1.520	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN)	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	109.5930	1.520	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.5580	0.000	1	109.6117	0.878	3	109.6117	0.878	3	109.1444	1.743	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	110.1385	0.302	2	109.6117	0.878	3	109.6117	0.878	3	109.1444	1.743	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	109.7810	0.000	1	109.7810	0.000	1	108.4435	3.578	2	109.1444	1.743	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.1060	0.000	1	107.1060	0.000	1	108.4435	3.578	2	109.1444	1.743	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:N[5]-3:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C-4:C[5]-3:	C[5]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3)	C(C[5]C[6a]C[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(F)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	110.6814	3.843	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){2|C<3>,2|O<2>,4|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,4|C<4>,4|H<1>}	109.0370	0.000	1	109.0370	0.000	1	111.1535	3.638	4	110.6814	3.843	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	113.6740	0.000	1	113.6740	0.000	1	111.1535	3.638	4	110.6814	3.843	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<3>,2|O<2>,5|H<1>}	110.9515	0.018	2	110.9515	0.000	2	111.1535	3.638	4	110.6814	3.843	5	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)	C(C[5]C[3,5]C[6a]C[5])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O)	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C(C[5]C[3,5]C[6a]C[5])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,3|C<4>,5|H<1>}	110.6080	0.000	1	110.6080	0.000	1	111.2890	0.928	2	111.2890	0.928	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	111.9700	0.000	1	111.9700	0.000	1	111.2890	0.928	2	111.2890	0.928	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	110.8320	0.000	1	110.8320	0.000	1	109.8600	1.890	2	112.1077	3.625	7	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|N<2>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(F)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	108.8880	0.000	1	108.8880	0.000	1	109.8600	1.890	2	112.1077	3.625	7	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.1755	0.302	2	114.1755	0.091	2	113.2525	1.503	4	112.1077	3.625	7	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	111.6190	0.000	1	111.6190	0.000	1	113.2525	1.503	4	112.1077	3.625	7	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.0400	0.000	1	113.0400	0.000	1	113.2525	1.503	4	112.1077	3.625	7	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	C(C[5]C[6a]O[5]P[5])(H)3	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	C(C[5]C[6a]O[5]P[5])(H)3	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	112.1077	3.625	7	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:2:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	C(C[5]C[6a]C[5]N[5])(OO)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	C(C[5]C[6a]C[5]N[5])(OO)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:2:4:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:1:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3){4|H<1>,6|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.1010	0.033	2	113.1010	0.001	2	113.1010	0.001	2	113.1010	0.001	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[6a]C[5])(H)3	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[5]C[5,6]C[6a]C[5])(H)3	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	110.7368	5.945	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3)	C(C[5]C[5,6]C[6a]N[5])(H)3	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C(C[5]C[5,6]C[6a]N[5])(H)3	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.1195	0.128	2	112.1195	0.016	2	112.1195	0.016	2	110.7368	5.945	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	110.7368	5.945	4	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:2:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	C(C[5]C[6a]C[5]N[5])(OH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(OH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	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(C[5]C[6a]C[5]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,2|H<1>,5|C<3>}	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	111.6610	0.429	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5]-4:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	111.6610	0.429	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	110.4340	4.659	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){1|N<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	110.4340	4.659	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	110.4340	4.659	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.7980	0.000	1	111.7980	0.000	1	112.1322	1.504	6	112.1322	1.504	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	110.4210	0.000	1	110.4210	0.000	1	112.1322	1.504	6	112.1322	1.504	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|O<2>,4|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	111.3110	0.000	1	111.3110	0.000	1	112.1322	1.504	6	112.1322	1.504	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){4|H<1>,5|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.0877	0.731	3	113.0877	0.535	3	112.1322	1.504	6	112.1322	1.504	6	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[3,5]C[6a]C[5])(H)3	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,6|H<1>}	C(C[5]C[3,5]C[6a]C[5])(H)3	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	110.0697	3.101	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4: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]N[5]HH)(CH3)	C(C[5]C[5,5]C[6a]C[5])(H)3	C[6a](C[5]C[5,5]C[5]C)(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]N[5]HH)(CH3){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]C[5])(H)3	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.9190	0.000	1	108.9190	0.000	1	109.0560	0.038	2	110.0697	3.101	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4: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]HH)(CH3)	C(C[5]C[5,5]C[6a]C[5])(H)3	C[6a](C[5]C[5,5]C[5]C)(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]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,5]C[6a]C[5])(H)3	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	109.1930	0.000	1	109.1930	0.000	1	109.0560	0.038	2	110.0697	3.101	3	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH){1|O<2>,4|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	109.8265	2.043	2	109.8265	4.173	2	109.8265	4.173	2	109.8265	4.173	2	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]2)(CH3)	C(C[5]C[5,5]C[6a]C[5])(H)3	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]2)(CH3){5|H<1>,8|C<3>}	C(C[5]C[5,5]C[6a]C[5])(H)3	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	111.6942	5.032	381	111.6569	4.919	496
474	490	643	0:SP3_SP2_SP3	C[5]	C	C[6a]	4:4:3:4:	4:3:1:1:	4:3:3:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	C(C[5]N[5,5]C[6a]C[5])(NCC)(H)2	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	C(C[5]N[5,5]C[6a]C[5])(NCC)(H)2	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	108.8240	0.363	2	108.8240	0.132	2	108.8240	0.132	2	108.8240	0.132	2	111.6942	5.032	381	111.6569	4.919	496
474	490	654	0:SP3_SP3_SP3	C[5]	C	B[3,5]	4:4:4:1:	4:3:1:1:	5:4:3:4:	B[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	B[3]-5:C[3,5]-4:C[6a]-3:C[5]-4:	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1
474	490	682	0:SP3_SP-NON_SP3	C[5]	C	Ga[3]	3:3:3:4:	4:1:1:1:	4:4:4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	C(C[5]Ga[3]C[5]2)(H)3	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	C(C[5]Ga[3]C[5]2)(H)3	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1
474	490	690	0:SP3_SP-NON_SP3	C[5]	C	Ga	3:3:2:4:	4:1:1:1:	4:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)2(GaC[5])(CH3)	C(C[5]C[5]2Ga)(H)3	Ga(C[5]C[5]2C)2	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	Ga(C[5]C[5]2C)2	113.7150	4.870	4	113.7150	23.713	4	113.7150	23.713	4	113.7150	23.713	4	113.7150	23.713	4	113.7150	23.713	4
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5a,6]	3:4:2:4:	4:2:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>}	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	117.3510	1.258	14	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5a,6]	3:4:2:4:	4:2:1:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>}	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	117.3510	1.258	14	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5a,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	117.5270	1.279	6	117.1142	1.057	12	117.1142	1.057	12	117.1142	1.057	12	117.3510	1.258	14	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5a,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|Pt<4>,1|C<3>,3|C<4>,3|H<1>}	116.6358	0.659	4	117.1142	1.057	12	117.1142	1.057	12	117.1142	1.057	12	117.3510	1.258	14	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5a,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){4|C<4>,4|H<1>}	116.8325	0.209	2	117.1142	1.057	12	117.1142	1.057	12	117.1142	1.057	12	117.3510	1.258	14	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:2:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.1660	0.000	1	118.4120	0.121	2	118.6473	0.227	3	118.6473	0.227	3	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:2:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.6580	0.000	1	118.4120	0.121	2	118.6473	0.227	3	118.6473	0.227	3	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:2:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.1180	0.000	1	119.1180	0.000	1	118.6473	0.227	3	118.6473	0.227	3	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:2:3:4:	4:2:1:1:	3:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:2:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.0680	0.000	1	117.0680	0.000	1	117.0680	0.000	1	117.0680	0.000	1	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:2:3:4:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:4:	3:4:3:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,6|C<3>}	123.9610	0.000	1	123.9610	0.000	1	125.1925	3.033	2	125.1925	3.033	2	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:4:	3:4:3:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	126.4240	0.000	1	126.4240	0.000	1	125.1925	3.033	2	125.1925	3.033	2	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.1800	1.125	4	116.1800	1.266	4	116.4825	3.876	12	116.4825	3.876	12	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.6338	2.339	8	116.6338	5.469	8	116.4825	3.876	12	116.4825	3.876	12	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	117.2510	0.000	1	117.2510	0.000	1	118.0850	1.391	2	118.0850	1.391	2	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	118.9190	0.000	1	118.9190	0.000	1	118.0850	1.391	2	118.0850	1.391	2	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<3>,4|H<1>}	C(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	119.4473	1.054	3	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.2670	0.000	1	118.2670	0.000	1	119.2000	1.741	2	119.4473	1.054	3	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.1330	0.000	1	120.1330	0.000	1	119.2000	1.741	2	119.4473	1.054	3	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:2:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:2:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN){2|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	116.1860	1.991	2	116.1860	3.965	2	116.1860	3.965	2	116.1860	3.965	2	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	121.4805	0.984	2	121.4805	0.967	2	121.4805	0.967	2	122.4676	0.842	14	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	124.3580	0.000	1	124.3580	0.000	1	124.3580	0.000	1	122.4676	0.842	14	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.3580	0.000	1	122.3580	0.000	1	122.4752	0.445	11	122.4676	0.842	14	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.4492	0.473	6	122.6900	0.376	8	122.4752	0.445	11	122.4676	0.842	14	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	123.4125	0.343	2	122.6900	0.376	8	122.4752	0.445	11	122.4676	0.842	14	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<4>,4|C<3>}	121.6745	0.400	2	121.6745	0.160	2	122.4752	0.445	11	122.4676	0.842	14	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	117.0060	0.000	1	117.0060	0.000	1	116.1895	0.726	6	116.1895	0.726	6	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	116.8940	0.181	2	116.8940	0.033	2	116.1895	0.726	6	116.1895	0.726	6	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a]){2|C<3>,3|C<4>,3|H<1>}	115.3545	0.487	2	115.3545	0.237	2	116.1895	0.726	6	116.1895	0.726	6	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	115.6340	0.000	1	115.6340	0.000	1	116.1895	0.726	6	116.1895	0.726	6	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3){1|H<1>,1|S<4>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	4:3:2:4:	4:1:1:1:	4:3:2:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:O[6a]-2:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	117.3173	0.500	4	117.3173	0.250	4	117.3173	0.250	4	117.3173	0.250	4	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH)	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	116.5140	7.644	2	116.5140	58.428	2	116.5140	58.428	2	116.5140	58.428	2	118.7365	10.030	56	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3)	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	112.6589	10.799	8	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	114.5707	0.323	3	114.5707	0.104	3	114.5707	0.104	3	114.5707	0.104	3	112.6589	10.799	8	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	108.6100	0.000	2	108.6100	0.000	2	108.6100	0.000	2	108.6100	0.000	2	112.6589	10.799	8	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,6|C<3>}	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	115.6735	0.111	2	115.6735	0.012	2	115.6735	0.012	2	115.6735	0.012	2	112.6589	10.799	8	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5,6]	C	C[5a,6]	4:3:4:4:	4:1:1:1:	4:3:3:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	C(C[5,5,6]N[5,5,6,6]C[5,5,6]C[5a,6])(H)3	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	C(C[5,5,6]N[5,5,6,6]C[5,5,6]C[5a,6])(H)3	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5]){4|C<3>,4|H<1>}	113.9065	0.499	2	113.9065	0.249	2	113.9065	0.249	2	113.9065	0.249	2	114.3240	0.320	4	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.7415	0.114	2	114.7415	0.013	2	114.7415	0.013	2	114.7415	0.013	2	114.3240	0.320	4	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,5a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C){3|H<1>,4|C<3>}	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	111.1860	0.000	1	111.1860	0.000	1	111.0210	0.054	2	111.0210	0.054	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	110.8560	0.000	1	110.8560	0.000	1	111.0210	0.054	2	111.0210	0.054	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.3545	0.346	2	109.3545	0.120	2	109.3545	0.120	2	111.3780	2.973	6	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	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(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.6300	0.000	1	112.6300	0.000	1	112.3897	0.820	4	111.3780	2.973	6	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	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(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.3097	1.092	3	112.3097	1.192	3	112.3897	0.820	4	111.3780	2.973	6	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.0175	0.136	2	110.0175	0.019	2	110.0175	0.019	2	110.0175	0.019	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C-4:H-1:	C[5,6a,6a]-3:C[5,5]-4: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[6a]C[5])(CC[6a]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(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[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a,6a]-3:C[5,5]-4: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[6a]C[5])(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(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[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	111.1665	1.334	2	111.1665	1.780	2	111.1665	1.780	2	111.1665	1.780	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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)(CH3){1|H<1>,5|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	109.7030	0.000	1	109.7030	0.000	1	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	110.3595	1.044	2	110.3595	1.091	2	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	109.9840	1.632	2	110.2375	1.070	4	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,3|C<4>,5|C<3>}	110.4910	0.539	2	110.2375	1.070	4	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<4>,4|C<3>}	112.3175	1.595	2	112.3175	2.543	2	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	108.3070	0.328	2	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	111.3220	0.000	1	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	110.2560	0.000	1	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	110.5780	0.000	1	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	110.0027	1.344	7	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	110.6494	0.837	15	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.4216	0.983	38	110.3777	1.066	65	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	109.9310	0.000	1	109.9310	0.000	1	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	111.7280	1.486	6	111.6343	1.048	15	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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)(CH3)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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)(CH3){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	111.5719	0.666	9	111.6343	1.048	15	110.6112	1.312	90	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.9267	2.430	4	112.2480	4.223	8	112.9141	3.344	14	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	111.5692	1.649	4	112.2480	4.223	8	112.9141	3.344	14	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	112.0250	0.000	1	112.0250	0.000	1	112.9141	3.344	14	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	114.7160	0.000	1	114.7160	0.000	1	112.9141	3.344	14	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3){2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	114.0180	0.695	4	114.0180	0.484	4	112.9141	3.344	14	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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]CC)(CH3)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.5263	0.777	3	111.5263	0.604	3	112.2180	0.636	9	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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]CH)(CH3)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	112.7637	0.356	3	112.7637	0.127	3	112.2180	0.636	9	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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]HH)(CH3)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	112.1540	0.984	2	112.1540	0.969	2	112.2180	0.636	9	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3){2|O<1>,3|C<3>,3|H<1>}	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	112.7840	0.000	1	112.7840	0.000	1	112.2180	0.636	9	111.0179	2.160	114	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.0760	0.000	1	114.5645	0.477	2	114.5645	0.477	2	113.8528	0.836	4	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	115.0530	0.000	1	114.5645	0.477	2	114.5645	0.477	2	113.8528	0.836	4	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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]CH)(CCHH)	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.1410	0.055	2	113.1410	0.003	2	113.1410	0.003	2	113.8528	0.836	4	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH)	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	114.2165	0.853	2	114.2165	0.728	2	114.2165	0.728	2	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	111.5467	4.982	3	111.5467	24.820	3	109.9697	5.103	29	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CCHH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<4>,4|C<3>}	109.4663	3.439	3	109.7877	3.397	26	109.9697	5.103	29	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	109.2007	1.013	4	109.7877	3.397	26	109.9697	5.103	29	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	109.8503	1.560	3	109.7877	3.397	26	109.9697	5.103	29	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	109.9829	1.844	16	109.7877	3.397	26	109.9697	5.103	29	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	111.1810	0.000	1	111.1810	0.000	1	111.8850	0.991	2	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.5890	0.000	1	112.5890	0.000	1	111.8850	0.991	2	110.4054	5.690	34	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(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]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3)	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CC3){1|O<2>,3|H<1>,5|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.2920	0.000	1	114.6575	26.419	2	114.6575	26.419	2	114.6575	26.419	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3)	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(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]2C)(CC3){1|O<2>,3|H<1>,5|C<3>}	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	111.0230	0.000	1	114.6575	26.419	2	114.6575	26.419	2	114.6575	26.419	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.8377	0.348	4	112.8377	0.121	4	112.8377	0.121	4	112.8377	0.121	4	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,6a](C[5,5]C[5,5]O[5]C)(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[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.0250	0.000	1	115.7750	1.125	2	115.7750	1.125	2	115.7750	1.125	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,6a](C[5,5]C[5,5]O[5]C)(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[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	116.5250	0.000	1	115.7750	1.125	2	115.7750	1.125	2	115.7750	1.125	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3)	C(C[5,5]C[5,6a]C[3x5]N[5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,5]C[5,6a]C[3x5]N[5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.4520	0.000	1	114.4520	0.000	1	114.4520	0.000	1	115.1183	0.531	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	C(C[5,5]C[5,6a]N[5,5]N[5])(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	C(C[5,5]C[5,6a]N[5,5]N[5])(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	115.4515	0.630	2	115.4515	0.397	2	115.4515	0.397	2	115.1183	0.531	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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[5]O)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	114.0280	0.000	1	114.0280	0.000	1	113.6957	0.086	3	112.3800	1.631	9	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.5295	0.080	2	113.5295	0.006	2	113.6957	0.086	3	112.3800	1.631	9	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]N[5])(H)3	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]N[5])(H)3	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	111.7222	1.008	6	111.7222	1.017	6	111.7222	1.017	6	112.3800	1.631	9	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4: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]C)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	111.7930	3.506	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	111.7930	3.506	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]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(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.7930	3.506	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4: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]O)(C[5]N[5]O)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	113.7348	0.555	4	113.7348	0.308	4	113.7348	0.308	4	113.7348	0.308	4	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:3:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]O[5]H)(C[5]C[5]C)(CC3){1|H<1>,1|O<2>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	114.4120	0.000	1	114.4120	0.000	1	114.4120	0.000	1	114.4120	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]2)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]2)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	109.9945	0.337	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(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]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.9945	0.337	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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]O)(C[5]C[5,6]C[5a]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.4010	0.000	1	112.4010	0.000	1	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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)(C[5]C[6a]N[5]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C)(C[5]C[6a]N[5]H)(CH3){1|S<4>,2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.1420	0.000	1	111.1420	0.000	1	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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]CC)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	112.6230	0.000	1	112.6230	0.000	1	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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]HH)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.2955	0.069	2	113.2955	0.005	2	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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[6a]C[5]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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[6a]C[5]H)(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.8290	0.000	1	110.7257	2.715	3	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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[6a]C[5]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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[6a]C[5]H)(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	111.6740	0.184	2	110.7257	2.715	3	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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[6a]N[5]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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[6a]N[5]H)(CH3){1|C<4>,1|H<1>,1|S<4>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.1500	0.000	1	111.1500	0.000	1	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4: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[6a]O[5]H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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[6a]O[5]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.1070	0.000	1	115.1070	0.000	1	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.9160	0.000	1	111.9543	2.555	4	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.1260	0.000	1	111.9543	2.555	4	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	110.8875	0.820	2	111.9543	2.555	4	112.0720	2.533	14	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.1250	2.837	2	113.1250	8.048	2	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	111.6660	0.000	1	111.6660	0.000	1	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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[6a]C[5]H)(C[5,5]C[5]2H)(CH3){1|O<1>,3|H<1>,5|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	110.0630	0.000	1	110.0630	0.000	1	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.3830	0.000	1	113.3830	0.000	1	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.8600	0.000	1	112.0124	3.283	5	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.5875	1.240	2	112.0124	3.283	5	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.3000	0.000	1	112.0124	3.283	5	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,4|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.7270	0.000	1	112.0124	3.283	5	112.1424	3.254	10	112.1013	2.706	24	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CCHH){1|S<4>,2|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	112.4140	0.000	1	112.4140	0.000	1	112.4140	0.000	1	113.2150	1.283	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	113.2150	1.283	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH){3|C<3>,3|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CCHH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	112.1340	2.696	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(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]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	110.9730	0.000	1	110.9730	0.000	1	110.9730	0.000	1	112.1340	2.696	2	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C-4:C-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CC3){1|S<4>,2|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	112.1280	0.000	1	112.9377	0.558	3	112.9377	0.558	3	112.9377	0.558	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C-4:C-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CC3){2|H<1>,5|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.0840	0.000	1	112.9377	0.558	3	112.9377	0.558	3	112.9377	0.558	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	3:4:4:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C-4:C-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(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]N[5]2H)(C[5]C[5]HH)(CC3){3|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	113.6010	0.000	1	112.9377	0.558	3	112.9377	0.558	3	112.9377	0.558	3	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	4:3:2:4:	4:1:1:1:	3:4:3:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	4:3:2:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,5]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	111.4556	3.918	233	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,6|C<3>}	112.2430	0.000	1	112.2430	0.000	1	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){2|C<4>,7|C<3>}	109.7910	0.000	1	109.7910	0.000	1	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){3|C<4>,6|C<3>}	111.4120	1.247	2	111.0850	1.769	5	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,5|C<3>}	112.7120	0.000	1	111.0850	1.769	5	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){3|C<4>,6|C<3>}	110.1170	0.000	1	111.0850	1.769	5	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,5|C<3>}	109.7720	0.000	1	111.0850	1.769	5	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){3|C<4>,6|C<3>}	111.3045	0.496	2	111.4629	0.537	7	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]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)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,5|C<3>}	111.5262	0.852	5	111.4629	0.537	7	111.2642	1.066	14	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	111.9070	0.000	1	111.9070	0.000	1	111.4545	0.410	2	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	111.0020	0.000	1	111.0020	0.000	1	111.4545	0.410	2	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){3|C<4>,6|C<3>}	111.7530	0.000	1	111.1480	5.846	3	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){3|C<4>,6|C<3>}	113.2060	0.000	1	111.1480	5.846	3	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,5|C<3>}	108.4850	0.000	1	111.1480	5.846	3	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){3|C<4>,6|C<3>}	112.0150	0.000	1	111.5812	0.776	5	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,5|C<3>}	111.6430	0.109	2	111.5812	0.776	5	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<4>,5|C<3>}	112.4730	0.000	1	111.5812	0.776	5	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){4|C<3>,5|C<4>}	110.1320	0.000	1	111.5812	0.776	5	111.4188	2.164	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){2|C<4>,7|C<3>}	111.6700	0.365	3	111.6700	0.133	3	111.7990	0.155	4	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C)	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)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]2C){2|C<4>,7|C<3>}	112.1860	0.000	1	112.1860	0.000	1	111.7990	0.155	4	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	114.7780	0.000	1	114.7780	0.000	1	112.4643	3.760	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	110.0570	0.000	1	112.1295	8.591	2	112.4643	3.760	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	114.2020	0.000	1	112.1295	8.591	2	112.4643	3.760	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	114.7800	0.000	1	112.5895	2.495	4	112.4643	3.760	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	111.8593	0.737	3	112.5895	2.495	4	112.4643	3.760	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)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]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)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]C){8|C<3>}	110.3190	0.000	1	110.3190	0.000	1	112.4643	3.760	8	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C){8|C<3>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	111.4782	2.345	39	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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]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(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){2|C<4>,7|C<3>}	114.3630	1.254	2	114.3630	1.574	2	114.3630	1.574	2	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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[3x6]C[6,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)	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[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){1|C<4>,8|C<3>}	113.2790	0.000	1	111.1710	3.651	3	110.9016	2.017	5	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){2|C<4>,6|C<3>}	109.5530	0.000	1	111.1710	3.651	3	110.9016	2.017	5	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){1|C<4>,8|C<3>}	110.6810	0.000	1	111.1710	3.651	3	110.9016	2.017	5	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){3|C<4>,6|C<3>}	110.8310	0.000	1	110.8310	0.000	1	110.9016	2.017	5	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){3|C<4>,6|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.9016	2.017	5	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	115.3080	0.066	2	115.3080	0.004	2	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	109.8085	0.555	2	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.3500	0.000	1	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	110.7395	0.631	2	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	112.2649	1.617	8	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	110.6330	0.008	2	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	111.1798	0.485	5	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	112.0913	1.206	3	111.6089	2.060	23	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.9670	0.000	1	113.9420	0.720	6	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.7370	0.765	5	113.9420	0.720	6	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	110.4555	0.713	2	110.4555	0.509	2	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]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])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.2460	0.000	1	114.2460	0.000	1	112.2479	3.188	34	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	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[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	110.0440	0.000	1	110.2265	0.067	2	110.1827	0.039	3	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	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[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	110.4090	0.000	1	110.2265	0.067	2	110.1827	0.039	3	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6])	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[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6]){1|C<4>,7|C<3>}	110.0950	0.000	1	110.0950	0.000	1	110.1827	0.039	3	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]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])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.8400	0.000	1	110.8400	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	108.7620	0.000	1	108.7620	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]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[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	111.8730	0.000	1	111.8730	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	112.3800	0.000	1	112.3800	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	111.0890	1.075	2	111.0890	1.155	2	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	114.6530	0.000	1	114.6530	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	114.0420	0.000	1	114.0420	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	113.8400	0.000	1	113.8400	0.000	1	112.0631	3.670	9	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	114.3132	0.600	5	114.3132	0.360	5	114.3435	0.294	6	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	114.4950	0.000	1	114.4950	0.000	1	114.3435	0.294	6	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	107.9243	0.450	4	107.9243	0.202	4	107.9243	0.202	4	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	115.3740	0.000	1	115.3740	0.000	1	115.3740	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	113.3695	1.569	2	113.3695	2.462	2	113.3695	2.462	2	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	110.6660	0.000	1	110.6660	0.000	1	111.3735	1.001	2	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a]){8|C<3>}	112.0810	0.000	1	112.0810	0.000	1	111.3735	1.001	2	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	112.0678	4.745	76	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)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){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{1|C<4>,7|C<3>}	110.1490	0.000	1	110.4453	0.267	3	111.2177	2.565	4	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)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){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{1|C<4>,7|C<3>}	110.5935	0.634	2	110.4453	0.267	3	111.2177	2.565	4	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(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]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(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	113.5350	0.000	1	113.5350	0.000	1	111.2177	2.565	4	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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[3x6]C[6,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)(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])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	106.7870	0.000	1	106.7870	0.000	1	106.7870	0.000	1	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(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[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	111.3500	0.000	1	111.0040	1.004	5	111.0040	1.004	5	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(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[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	110.1560	1.243	2	111.0040	1.004	5	111.0040	1.004	5	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(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[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	111.6790	0.049	2	111.0040	1.004	5	111.0040	1.004	5	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.7422	0.624	5	111.3450	1.054	22	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	110.6796	1.016	8	111.3450	1.054	22	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	111.6630	0.375	6	111.3450	1.054	22	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.7220	0.000	1	111.3450	1.054	22	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	109.9990	0.000	1	111.3450	1.054	22	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	113.7430	0.000	1	111.3450	1.054	22	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,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])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.0660	0.185	2	113.9930	0.033	3	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,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])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	113.8470	0.000	1	113.9930	0.033	3	111.6628	1.696	25	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(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])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	110.4350	0.000	1	110.7680	0.246	6	110.7680	0.246	6	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(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])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	110.8346	0.523	5	110.7680	0.246	6	110.7680	0.246	6	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	110.4340	0.908	3	110.2422	0.697	4	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	109.6670	0.000	1	110.2422	0.697	4	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	109.8351	0.895	12	109.8373	0.735	13	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	109.8640	0.000	1	109.8373	0.735	13	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.6665	0.310	4	114.6665	0.096	4	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.1790	0.000	1	111.1790	0.000	1	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.4851	0.785	9	111.4851	0.617	9	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	114.0815	2.070	2	114.0815	4.284	2	111.2190	3.551	33	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(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])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	108.7360	0.000	1	108.7360	0.000	1	109.3570	0.771	2	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	109.9780	0.000	1	109.9780	0.000	1	109.3570	0.771	2	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	112.8550	0.000	1	112.8550	0.000	1	112.8550	0.000	1	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	114.1830	1.537	10	114.1830	2.361	10	114.1014	1.924	13	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.3205	0.035	2	113.3205	0.001	2	114.1014	1.924	13	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	114.8470	0.000	1	114.8470	0.000	1	114.1014	1.924	13	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	112.9930	0.165	2	112.9930	0.027	2	111.6063	5.782	3	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6]){2|C<4>,7|C<3>}	108.8330	0.000	1	108.8330	0.000	1	111.6063	5.782	3	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	110.0302	0.575	4	110.0302	0.331	4	110.5813	1.102	6	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(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[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	111.6835	0.933	2	111.6835	0.870	2	110.5813	1.102	6	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	113.6490	0.000	1	113.6490	0.000	1	113.6490	0.000	1	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	113.5097	0.707	3	113.5097	0.500	3	113.5097	0.500	3	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(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[6,6,6a]C[6,6a,6a]C[6,6,6a])(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(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	111.5820	1.211	2	111.5820	1.465	2	111.5820	1.465	2	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	111.6135	3.483	107	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	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]2C)	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	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]2C){2|C<4>,6|C<3>}	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	114.5760	0.000	1	114.5760	0.000	1	113.2116	7.960	5	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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){8|C<3>}	109.6740	0.000	1	110.1805	0.513	2	113.2116	7.960	5	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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){8|C<3>}	110.6870	0.000	1	110.1805	0.513	2	113.2116	7.960	5	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	115.3960	0.000	1	115.3960	0.000	1	113.2116	7.960	5	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	115.7250	0.000	1	115.7250	0.000	1	113.2116	7.960	5	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C){2|C<4>,7|C<3>}	116.9560	0.000	1	116.9560	0.000	1	116.9560	0.000	1	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)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[6,6,6a]C)	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)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[6,6,6a]C){8|C<3>}	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	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[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	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[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	111.4595	0.746	2	111.4595	0.557	2	111.4595	0.557	2	112.3597	7.867	12	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	114.5860	0.000	1	114.5860	0.000	1	113.3480	1.879	5	112.3006	3.850	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.3040	2.038	2	113.3040	4.153	2	113.3480	1.879	5	112.3006	3.850	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	112.7730	1.079	2	112.7730	1.164	2	113.3480	1.879	5	112.3006	3.850	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	112.0610	2.870	3	112.0610	8.235	3	112.0610	8.235	3	112.3006	3.850	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](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[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](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[5,6a,6a]C[5,6a,6a]2){8|C<3>}	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	112.3006	3.850	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-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[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,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[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.6305	1.377	2	110.6305	1.895	2	110.6305	1.895	2	112.3006	3.850	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.0450	1.984	2	114.0450	3.937	2	114.0450	3.937	2	112.7682	3.511	4	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.4915	0.275	2	111.4915	0.076	2	111.4915	0.076	2	112.7682	3.511	4	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]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])(CC[6a]2H){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	112.4185	10.211	2	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]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])(CC[6a]2H){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	112.4185	10.211	2	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,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(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]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])(CC[6a]CH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,8|C<3>}	105.0940	0.000	1	105.0940	0.000	1	105.0940	0.000	1	105.0940	0.000	1	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	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]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)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	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]2C){3|C<4>,6|C<3>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	112.7000	0.000	1	112.5195	0.065	2	112.0575	3.839	6	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	112.3390	0.000	1	112.5195	0.065	2	112.0575	3.839	6	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	112.3430	0.000	1	112.3430	0.000	1	112.0575	3.839	6	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	110.4100	0.000	1	110.4100	0.000	1	112.0575	3.839	6	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	115.0880	0.000	1	115.0880	0.000	1	112.0575	3.839	6	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	109.4650	0.000	1	109.4650	0.000	1	112.0575	3.839	6	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	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[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	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[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	110.5910	0.000	1	110.5910	0.000	1	111.6675	2.318	2	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)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)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)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){8|C<3>}	112.7440	0.000	1	112.7440	0.000	1	111.6675	2.318	2	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	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[5a,6,6]C[5,6,6]C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,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(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	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[5a,6,6]C[5,6,6]C){3|C<4>,6|C<3>}	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	112.0379	2.752	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	115.2223	0.902	4	115.0259	0.620	8	115.0259	0.620	8	114.0515	3.827	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){3|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.8295	0.728	4	115.0259	0.620	8	115.0259	0.620	8	114.0515	3.827	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	114.0515	3.827	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH)	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH){2|H<1>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	111.8745	2.239	2	111.8745	5.015	2	111.8745	5.015	2	114.0515	3.827	11	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	111.8910	0.558	2	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])	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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	111.8910	0.558	2	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	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)	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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	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){8|C<3>}	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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]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(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]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){1|C<4>,8|C<3>}	114.8923	1.418	3	114.8923	2.011	3	114.8923	2.011	3	114.6104	1.155	5	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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])(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	114.2230	0.000	1	114.2230	0.000	1	114.2230	0.000	1	114.6104	1.155	5	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]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])(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.6104	1.155	5	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)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(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,6|C<3>}	113.3007	0.150	3	113.3007	0.023	3	113.3007	0.023	3	113.5362	0.473	6	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,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])(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.2415	0.548	2	113.2415	0.300	2	113.7717	0.993	3	113.5362	0.473	6	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-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)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]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])(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	114.8320	0.000	1	114.8320	0.000	1	113.7717	0.993	3	113.5362	0.473	6	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Ir<8>,3|C<4>,6|C<3>}	113.9034	1.694	8	113.9034	2.871	8	112.7037	3.265	26	112.7037	3.265	26	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Mo<8>,3|C<4>,6|C<3>}	113.6335	1.005	6	113.6335	1.009	6	112.7037	3.265	26	112.7037	3.265	26	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Ru<8>,3|C<4>,6|C<3>}	111.4390	1.368	12	111.4390	1.872	12	112.7037	3.265	26	112.7037	3.265	26	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	113.4028	0.484	30	113.4028	0.235	30	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ir<8>,3|C<4>,6|C<3>}	112.5080	0.417	2	112.5080	0.174	2	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Mo<8>,3|C<4>,6|C<3>}	113.5180	0.507	4	113.5180	0.257	4	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,3|C<4>,6|C<3>}	113.7353	0.490	20	113.7353	0.240	20	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Re)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Re)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Re<8>,3|C<4>,6|C<3>}	113.5138	1.326	10	113.5138	1.757	10	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<10>,3|C<4>,6|C<3>}	113.6670	0.662	10	111.8366	2.202	66	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<8>,3|C<4>,6|C<3>}	111.5098	1.347	56	111.8366	2.202	66	112.6685	2.030	132	112.6685	2.030	132	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)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[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Fe<10>,3|C<4>,6|C<3>}	115.1558	1.615	6	115.1558	2.607	6	115.1558	2.607	6	111.2789	8.706	19	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	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)(CCHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCH)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCH)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	108.8067	0.553	4	108.8067	0.306	4	108.8067	0.306	4	111.2789	8.706	19	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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]2O)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	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]2O)(CC[6a]HH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	107.7240	0.000	1	107.7240	0.000	1	107.7240	0.000	1	111.2789	8.706	19	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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]2H)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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)	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]2H)(CC[6a]HH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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){1|H<1>,8|C<3>}	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	111.2789	8.706	19	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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]2O)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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)	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]2O)(CC[6a]HH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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){1|O<2>,8|C<3>}	111.0670	0.000	1	111.0670	0.000	1	109.9656	0.505	7	111.2789	8.706	19	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	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]2O)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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)	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]2O)(CC[6a]HH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)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){1|O<2>,8|C<3>}	109.7820	0.568	6	109.7820	0.323	6	109.9656	0.505	7	111.2789	8.706	19	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH){4|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	114.1170	0.966	4	114.1170	0.934	4	114.1170	0.934	4	113.0998	5.874	5	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-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]2H)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,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]2H)(CC[6a]HH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	113.0998	5.874	5	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[6a])(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)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)	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[6a])(CSiHH){10|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)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){9|C<3>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	109.6070	3.690	4	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	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[6a])(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,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[6a])(CSiHH){10|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){9|C<3>}	110.7750	0.000	1	110.7750	0.000	1	110.4690	1.076	3	109.6070	3.690	4	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	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]2H)(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|H<1>,8|C<3>}	110.3160	1.418	2	110.3160	2.012	2	110.4690	1.076	3	109.6070	3.690	4	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	113.5750	1.286	2	113.5750	1.653	2	113.5750	1.653	2	113.5750	1.653	2	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	4:3:3:4:	4:3:3:1:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|N<3>,7|C<3>}	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,7|C<3>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	112.1928	4.162	479	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,6,6]-3:C[3x6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.4715	0.900	2	109.4715	0.810	2	109.4715	0.810	2	109.4715	0.810	2	110.7188	3.973	6	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[3x6]-4:C[5,6a]-3:N[5,6,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3)	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	110.7188	3.973	6	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CCH)(H)2	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CCH)(H)2	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	113.0200	0.000	1	113.0200	0.000	1	112.2485	1.190	2	112.2485	1.190	2	110.7188	3.973	6	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(COO)(H)2	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(COO)(H)2	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	111.4770	0.000	1	111.4770	0.000	1	112.2485	1.190	2	112.2485	1.190	2	110.7188	3.973	6	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	110.7188	3.973	6	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5a,6,6]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6a])(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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	108.7780	0.000	1	108.7780	0.000	1	112.3513	9.774	3	112.3513	9.774	3	112.8178	7.767	5	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5a,6,6]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	114.1380	0.628	2	114.1380	0.394	2	112.3513	9.774	3	112.3513	9.774	3	112.8178	7.767	5	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5a,6,6]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,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[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	113.5175	9.888	2	112.8178	7.767	5	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6,6]	C	C[5a,6,6]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,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(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	113.5175	9.888	2	112.8178	7.767	5	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5,5a]-3:C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C){2|C<3>,3|C<4>,7|H<1>}	107.1900	0.000	2	107.1900	0.000	2	107.1900	0.000	2	107.1900	0.000	2	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	106.2360	0.000	1	106.2360	0.000	1	104.8320	1.478	3	104.8320	1.478	3	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si){2|C<3>,2|C<4>,5|H<1>}	104.1300	0.000	2	104.1300	0.000	2	104.8320	1.478	3	104.8320	1.478	3	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:2:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-2:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(N[5a]N[5a])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,2|C<4>,5|H<1>}	106.8785	0.192	4	106.8785	0.037	4	106.8785	0.037	4	106.8785	0.037	4	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C){1|C<3>,2|C<4>,5|H<1>}	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C){2|C<4>,6|H<1>}	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	107.0310	0.000	1	105.7776	1.050	11	105.7776	1.050	11	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	103.7490	0.000	1	105.7776	1.050	11	105.7776	1.050	11	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	105.7867	0.871	7	105.7776	1.050	11	105.7776	1.050	11	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	106.1335	0.070	2	105.7776	1.050	11	105.7776	1.050	11	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	104.8280	0.000	1	104.8280	0.000	1	104.8280	0.000	1	105.9364	1.270	14	106.4357	4.580	24	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	111.0790	0.000	1	110.3801	0.302	7	110.3801	0.302	7	110.3801	0.302	7	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	110.1753	0.616	4	110.3801	0.302	7	110.3801	0.302	7	110.3801	0.302	7	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){3|H<1>,5|C<3>}	110.4405	0.105	2	110.3801	0.302	7	110.3801	0.302	7	110.3801	0.302	7	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)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]C[5,6a]C[6]C)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)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]C[5,6a]C[6]C){1|O<1>,7|C<3>}	112.7260	0.000	1	112.7260	0.000	1	112.7260	0.000	1	112.9090	0.067	2	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]C){1|O<1>,7|C<3>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	112.9090	0.067	2	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|C<4>,2|C<3>,6|H<1>}	113.2983	0.562	3	113.2983	0.316	3	113.4608	0.225	5	113.4608	0.225	5	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	113.8900	0.000	1	113.7045	0.069	2	113.4608	0.225	5	113.4608	0.225	5	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|O<2>,2|C<3>,6|H<1>}	113.5190	0.000	1	113.7045	0.069	2	113.4608	0.225	5	113.4608	0.225	5	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6a]-3:Br-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5])	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){2|C<3>,4|C<4>,6|H<1>}	112.1670	0.000	1	112.1670	0.000	1	109.9320	3.747	3	109.9320	3.747	3	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6,6a]C[5]C[6])(H)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]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6,6a]C[5]C[6])(H)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]C){1|O<1>,3|C<3>,6|H<1>}	108.8145	0.039	2	108.8145	0.002	2	109.9320	3.747	3	109.9320	3.747	3	111.6259	3.184	18	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:2:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-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)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	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(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-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)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6]C[5,6]O[6]C)(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[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	111.4837	1.674	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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])(S[6]C[5,6])(CH3)	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6a](C[5,6]C[5,6]S[6]C)(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]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.8745	1.559	2	111.8745	2.431	2	111.8745	2.431	2	111.4837	1.674	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.8416	0.571	7	108.8416	0.326	7	108.8416	0.326	7	109.4907	1.476	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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[6]C[6]O)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	109.1792	0.603	5	109.1792	0.363	5	109.1792	0.363	5	109.4907	1.476	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	109.4907	1.476	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	109.4907	1.476	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	109.4907	1.476	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(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(CHHO){1|H<1>,2|O<2>,8|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	107.2390	0.000	1	107.2390	0.000	1	107.2390	0.000	1	107.2390	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.8435	1.165	2	111.8435	1.356	2	111.2668	0.911	4	111.2668	0.911	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.6900	0.215	2	110.6900	0.046	2	111.2668	0.911	4	111.2668	0.911	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C){1|C<4>,1|O<1>,8|C<3>}	109.6240	0.000	1	109.6240	0.000	1	108.6970	1.719	2	108.6970	1.719	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C){1|C<4>,1|O<1>,8|C<3>}	107.7700	0.000	1	107.7700	0.000	1	108.6970	1.719	2	108.6970	1.719	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4: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[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C-4:O[6]-2:	C[5,6]-4:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6])	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	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(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)	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(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	105.5920	0.000	1	105.5920	0.000	1	105.5920	0.000	1	106.3547	1.632	6	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	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(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]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){1|H<1>,2|C<4>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	106.5072	1.366	5	106.5072	1.865	5	106.5072	1.865	5	106.3547	1.632	6	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	109.6590	1.030	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.0665	0.516	4	110.0665	0.266	4	110.0665	0.266	4	109.6590	1.030	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.3800	0.000	1	109.5660	0.069	2	110.3990	2.116	3	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	109.7520	0.000	1	109.5660	0.069	2	110.3990	2.116	3	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	112.0650	0.000	1	112.0650	0.000	1	110.3990	2.116	3	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	115.1520	0.000	2	115.1520	0.000	2	115.1520	0.000	2	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(H)3	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(H)3	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3)	C(C[5,6]C[5,6a]N[5,6]C[6])(F)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	C(C[5,6]C[5,6a]N[5,6]C[6])(F)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.4755	0.132	2	110.4755	0.017	2	110.4755	0.017	2	111.8991	7.792	10	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[5]N[6])(C[6]C[6,6a]CC)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.6160	0.000	1	108.6160	0.000	1	110.9153	4.148	3	111.3166	4.888	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[5]N[6])(C[6]C[6,6a]HN)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	112.0650	0.604	2	112.0650	0.365	2	110.9153	4.148	3	111.3166	4.888	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4: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[6]C[6]HH)(CC[6a]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	111.3166	4.888	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	111.3166	4.888	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	107.3630	0.000	1	106.2437	0.444	6	107.3902	4.850	8	107.6497	4.849	9	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	106.0198	0.423	5	106.2437	0.444	6	107.3902	4.850	8	107.6497	4.849	9	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4: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[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	110.8300	0.420	2	110.8300	0.176	2	107.3902	4.850	8	107.6497	4.849	9	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	107.6497	4.849	9	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:C-3:H-1:	C[5,6]-4: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[6]C[6]HH)(CCCH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4: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[6]C[6]HH)(CCCH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6]C[5,6]O[6]C)(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[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.4423	1.212	4	115.4423	1.468	4	114.5976	4.668	5	114.5976	4.668	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6]C[5,6]O[6]C)(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[5]O[6]H)(O[6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2190	0.000	1	111.2190	0.000	1	114.5976	4.668	5	114.5976	4.668	5	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4: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]H)(O[6]C[6,6a])(CHHO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	C[5,6a](C[5,6]C[5,6]O[6]C)(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]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.3387	2.258	3	114.3387	5.099	3	113.7653	4.714	4	113.7653	4.714	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4: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]H)(O[6]C[6,6a])(CHHO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	C[5,6a](C[5,6]C[5,6]O[6]C)(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]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	112.0450	0.000	1	112.0450	0.000	1	113.7653	4.714	4	113.7653	4.714	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	116.6380	13.908	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C){4|C<3>,4|H<1>}	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	116.6380	13.908	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	109.4605	0.094	4	109.4605	0.009	4	109.4605	0.009	4	110.8883	7.706	7	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	110.8883	7.706	7	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6a](C[5,6]C[5,6]N[6]C)(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[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.9860	0.000	1	115.9860	0.000	1	115.9860	0.000	1	110.8883	7.706	7	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	110.8883	7.706	7	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH)	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4: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]H)(C[6]C[6]H)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.6750	0.000	1	115.6750	0.000	1	115.6750	0.000	1	115.6750	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	109.6960	6.512	2	109.6960	42.412	2	109.6960	42.412	2	112.1773	39.677	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	112.1773	39.677	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	104.8670	0.000	1	106.0945	3.014	2	106.0945	3.014	2	106.0945	3.014	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,6|H<1>}	107.3220	0.000	1	106.0945	3.014	2	106.0945	3.014	2	106.0945	3.014	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	109.5100	0.000	1	106.0723	10.162	3	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	105.4930	0.000	1	106.0723	10.162	3	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	103.2140	0.000	1	106.0723	10.162	3	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]C)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[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]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	106.8525	0.712	2	106.8525	0.507	2	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	112.1830	0.000	1	112.1830	0.000	1	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HO)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	105.0980	0.000	1	105.0980	0.000	1	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]CH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	114.0220	0.000	1	114.0220	0.000	1	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]ClH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	113.8620	0.000	1	113.8620	0.000	1	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4: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]HO)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	107.8770	0.000	1	107.8770	0.000	1	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	112.7410	0.000	1	110.0350	14.645	2	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	107.3290	0.000	1	110.0350	14.645	2	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(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[5]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.5740	0.000	1	111.5740	0.000	1	108.9698	12.887	13	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){1|Cl<1>,1|H<1>,4|C<3>,4|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.5930	0.000	1	114.5930	0.000	1	113.6525	1.769	2	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){2|H<1>,4|C<3>,4|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.7120	0.000	1	112.7120	0.000	1	113.6525	1.769	2	109.5942	13.887	15	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|S<4>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,4|C<3>,4|H<1>}	110.3090	0.000	1	110.3090	0.000	1	111.5085	2.878	2	111.5085	2.878	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.7080	0.000	1	112.7080	0.000	1	111.5085	2.878	2	111.5085	2.878	2	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH)	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,3|C<3>,5|H<1>}	110.0840	0.000	1	110.0840	0.000	1	113.1328	15.471	4	113.1328	15.471	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.8730	0.000	1	118.8730	0.000	1	113.1328	15.471	4	113.1328	15.471	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH){1|S<4>,2|C<4>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.2640	0.000	1	111.2640	0.000	1	113.1328	15.471	4	113.1328	15.471	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(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[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.3100	0.000	1	112.3100	0.000	1	113.1328	15.471	4	113.1328	15.471	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4: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]H)(C[6]C[6]HH)(CCHO)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.6465	0.701	4	112.6465	0.492	4	112.6465	0.492	4	112.6465	0.492	4	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>,3|C<3>}	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:3:4:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:C-4:C-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3)	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3){2|H<1>,2|O<2>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,5,6]C[5,6a]C[6])(H)3	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6a]C[6])(H)3	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	108.5343	13.108	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	104.3840	0.000	1	104.3840	0.000	1	107.2795	16.768	2	108.5343	13.108	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.1750	0.000	1	110.1750	0.000	1	107.2795	16.768	2	108.5343	13.108	3	110.7803	11.228	127	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	112.2030	0.688	4	112.2030	0.473	4	112.2030	0.473	4	112.2030	0.473	4	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	111.7700	0.000	1	111.7700	0.000	1	111.4211	0.638	9	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	111.1805	0.182	2	110.7090	0.349	4	111.4211	0.638	9	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	109.9870	0.000	1	110.7090	0.349	4	111.4211	0.638	9	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	110.4880	0.000	1	110.7090	0.349	4	111.4211	0.638	9	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	112.1120	0.361	2	112.1120	0.130	2	111.4211	0.638	9	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	111.9800	0.443	2	111.9800	0.196	2	111.4211	0.638	9	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	109.9310	0.440	2	109.9310	0.193	2	110.1703	0.269	3	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H){2|C<3>,2|C<4>,4|H<1>}	110.6490	0.000	1	110.6490	0.000	1	110.1703	0.269	3	111.1084	0.833	12	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:2:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:4:2:4:	4:1:1:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|F<1>,3|H<1>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:S[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3)	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5,6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	109.9840	1.868	2	109.9840	3.490	2	109.9840	3.490	2	109.9840	3.490	2	111.3417	1.580	27	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2	C(C[5]C[5,5a]O[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(C[5]O[5]CC)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]O[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(C[5]O[5]CC){1|O<1>,2|C<3>}	113.6160	0.301	2	113.6160	0.091	2	113.6160	0.091	2	113.8450	2.020	5	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2	C(C[5]C[5,5a]O[5]C)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	C(C[5]C[5,5a]O[5]C)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	112.8565	0.005	2	112.8565	0.000	2	113.9977	3.907	3	113.8450	2.020	5	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,5a]O[5]C)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]O[5]C)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC){1|O<1>,2|C<3>}	116.2800	0.000	1	116.2800	0.000	1	113.9977	3.907	3	113.8450	2.020	5	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:2:4:4:	4:3:1:1:	3:3:4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC){1|O<1>,2|C<3>}	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C){8|C<3>}	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH){6|C<3>}	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.1580	0.485	3	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH){1|C<2>,5|C<3>}	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	114.1580	0.485	3	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	C(C[5]C[5,5a]N[5]H)(H)3	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]N[5]H)(H)3	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){2|C<3>,2|H<1>}	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	114.1580	0.485	3	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH)	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(C[5]C[5,5a]C[5]H)(CH3)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH){4|C<3>}	113.9090	0.000	1	113.9090	0.000	1	113.9090	0.000	1	113.9090	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:4:4:1:	3:4:2:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,1|C<4>,1|O<1>}	113.4980	0.000	1	113.4980	0.000	1	113.8310	0.222	2	113.8310	0.222	2	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:4:4:1:	3:4:2:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,3|H<1>}	114.1640	0.000	1	114.1640	0.000	1	113.8310	0.222	2	113.8310	0.222	2	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	C(C[5]C[5,5a]N[5]H)(CH3)3	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,5a]N[5]H)(CH3)3	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,2|H<1>}	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH)	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O){2|C<3>}	112.0975	1.121	2	112.0975	1.256	2	112.0975	1.256	2	112.0975	1.256	2	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO)	C(C[5]C[5,5a]N[5]C)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]N[5]C)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5a,6]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2	C(C[5]C[5,5a]2C)(H)3	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC)	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2{2|B<4>,4|C<3>}	C(C[5]C[5,5a]2C)(H)3	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	112.4660	3.056	2	112.4660	9.340	2	112.4660	9.340	2	113.2872	1.107	21	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC){1|H<1>,3|C<3>}	113.5565	1.514	2	113.5565	2.292	2	113.3695	0.645	17	113.2872	1.107	21	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){2|C<3>,2|O<1>}	113.2331	1.023	8	113.3445	0.568	15	113.3695	0.645	17	113.2872	1.107	21	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	113.4719	0.259	7	113.3445	0.568	15	113.3695	0.645	17	113.2872	1.107	21	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,5a]N[5]C)(H)3	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]CC)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C(C[5]C[5,5a]N[5]C)(H)3	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]CC){1|O<1>,3|C<4>}	113.4095	0.989	2	113.4095	0.979	2	113.4095	0.979	2	113.2872	1.107	21	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,5a]N[5]C)(H)3	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CC)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2{2|C<3>,2|C<4>}	C(C[5]C[5,5a]N[5]C)(H)3	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CC)(S[5a]C[5a]){1|H<1>,1|O<1>,3|C<4>}	113.8440	0.283	2	113.8440	0.080	2	113.8440	0.080	2	113.8440	0.080	2	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.6155	0.511	4	111.6155	0.261	4	111.6155	0.261	4	111.3107	1.237	7	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	112.1540	0.000	1	111.8715	0.160	2	110.9043	2.886	3	111.3107	1.237	7	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	111.5890	0.000	1	111.8715	0.160	2	110.9043	2.886	3	111.3107	1.237	7	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	108.9700	0.000	1	108.9700	0.000	1	110.9043	2.886	3	111.3107	1.237	7	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:2:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]CC)(S[5a]C[5a,5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,4|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]CC)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	111.7810	0.722	4	111.7810	0.521	4	111.7810	0.521	4	111.7810	0.521	4	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2	C(C[5]C[5,5a]2C)(CH3)(H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2{2|C<3>,2|H<1>,2|S<2>}	C(C[5]C[5,5a]2C)(CH3)(H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H){1|S<2>,2|C<3>}	111.6812	1.811	12	111.6812	3.279	12	111.6812	3.279	12	111.5770	1.836	24	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	110.8140	0.636	4	111.4728	0.536	12	111.4728	0.536	12	111.5770	1.836	24	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	111.8023	0.545	8	111.4728	0.536	12	111.4728	0.536	12	111.5770	1.836	24	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	C(C[5]C[5,5a]C[6a]C[5])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C(C[5]C[5,5a]C[6a]C[5])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H){1|N<3>,2|C<4>,5|C<3>}	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	C(C[5]C[5,5a]C[5]H)(F)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	C(C[5]C[5,5a]C[5]H)(F)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|S<2>,3|C<3>}	113.4280	0.000	2	113.4280	0.000	2	113.4280	0.000	2	114.4327	3.028	3	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,5a]C[5]H)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	114.4327	3.028	3	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(COO)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(COO)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	113.2248	5.791	6	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	114.2340	0.000	1	114.2340	0.000	1	112.1088	2.032	4	113.2248	5.791	6	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,5|H<1>}	111.5290	0.000	1	111.5290	0.000	1	112.1088	2.032	4	113.2248	5.791	6	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH){1|C<3>,5|H<1>}	111.3360	0.223	2	111.3360	0.050	2	112.1088	2.032	4	113.2248	5.791	6	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	113.4680	0.000	1	113.4680	0.000	1	113.4680	0.000	1	113.2248	5.791	6	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH){2|C<3>,4|H<1>}	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|S<4>,2|C<4>}	112.4380	0.000	1	112.4380	0.000	1	113.9695	4.691	2	113.9695	4.691	2	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	115.5010	0.000	1	115.5010	0.000	1	113.9695	4.691	2	113.9695	4.691	2	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:O-2:	C[5]-4:Cl-1:Cl-1:Cl-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH)	C(C[5]C[5,5a]C[5]O)(Cl)3	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5]O)(Cl)3	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-2:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN)	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN){1|C<3>,1|S<2>,3|H<1>}	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO)	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO){1|N<3>,4|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	115.4850	0.000	1	115.4850	0.000	1	115.4850	0.000	1	115.4850	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,5a]C[5,6]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,5a]C[5,6]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC){1|C<4>,1|H<1>,3|C<3>}	112.1890	2.779	2	112.1890	7.722	2	112.1890	7.722	2	111.7160	1.957	10	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.2130	2.182	2	111.2130	4.762	2	111.2130	4.762	2	111.7160	1.957	10	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.4405	1.059	2	111.7260	0.835	6	111.7260	0.835	6	111.7160	1.957	10	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	111.9045	1.414	2	111.7260	0.835	6	111.7260	0.835	6	111.7160	1.957	10	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){2|C<4>,3|C<3>,3|H<1>}	111.8330	0.899	2	111.7260	0.835	6	111.7260	0.835	6	111.7160	1.957	10	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,5a]	4:3:4:3:	4:1:1:1:	3:4:3:	C[5,5]-4:C[5,5a]-3:C-4:C-3:	C[5]-4:F-1:F-1:F-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO)	C(C[5]C[5,5a]C[5,5]C)(F)3	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C(C[5]C[5,5a]C[5,5]C)(F)3	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C){3|C<3>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	112.4920	2.861	102	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:2:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:O-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH)	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,4|H<1>}	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H)	C(C[5]C[5,6a]O[5]H)(Cl)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(Cl)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	115.2690	0.757	2	115.2690	0.572	2	115.2690	0.572	2	115.0650	1.014	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H)	C(C[5]C[5,6a]O[5]H)(F)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(F)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){3|C<3>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	115.0650	1.014	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	115.1347	1.184	7	115.1347	1.401	7	115.1799	1.184	9	115.0650	1.014	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	116.0460	0.000	1	116.0460	0.000	1	115.1799	1.184	9	115.0650	1.014	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	114.6300	0.000	1	114.6300	0.000	1	115.1799	1.184	9	115.0650	1.014	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:O-1:	C[5]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O)	C(C[5]C[5,6a]O[5]O)(H)3	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]O)(H)3	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	115.0650	1.014	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	115.8350	0.000	1	115.7795	0.006	2	115.7795	0.006	2	115.6817	0.038	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	115.7240	0.000	1	115.7795	0.006	2	115.7795	0.006	2	115.6817	0.038	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	115.3960	0.000	1	115.5840	0.071	2	115.5840	0.071	2	115.6817	0.038	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	115.7720	0.000	1	115.5840	0.071	2	115.5840	0.071	2	115.6817	0.038	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<2>,2|H<1>}	112.3440	0.000	1	112.3440	0.000	1	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.9400	0.000	1	114.5980	3.602	2	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<4>,2|C<3>,2|H<1>}	113.2560	0.000	1	114.5980	3.602	2	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|P<4>,3|H<1>}	114.1070	0.000	1	114.1070	0.000	1	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	115.7490	0.000	1	115.1465	0.726	2	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.5440	0.000	1	115.1465	0.726	2	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.3330	0.579	4	113.5954	0.596	5	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,4|H<1>}	114.6450	0.000	1	113.5954	0.596	5	113.9925	1.363	11	113.9925	1.363	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:N[5]-2:C-4:H-1:	C[5]-4:N-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,2|H<1>}	114.7500	0.279	2	114.7500	0.078	2	114.7500	0.078	2	114.7500	0.078	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,2|C<3>,2|O<2>}	114.9670	0.522	3	114.9670	0.272	3	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	113.1740	0.000	1	113.1740	0.000	1	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	115.0870	0.000	1	115.0870	0.000	1	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	112.1050	0.000	1	112.1050	0.000	1	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	112.6940	0.000	1	112.6940	0.000	1	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	114.7690	0.243	2	114.7690	0.059	2	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){1|O<1>,1|O<2>,2|C<3>}	117.2060	0.000	1	117.2060	0.000	1	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	114.7780	0.000	1	114.7780	0.000	1	114.4985	1.990	11	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]CH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]CH){1|N<3>,2|H<1>,4|C<3>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH){1|O<1>,1|O<2>,3|C<3>}	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H)	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	114.1178	2.306	14	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	115.6635	0.282	6	115.6635	0.080	6	115.6635	0.080	6	115.6635	0.080	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:2:2:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){2|H<1>,3|C<3>}	112.5040	0.000	1	112.5040	0.000	1	112.9185	0.344	2	112.9185	0.344	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|O<2>,2|C<3>,2|H<1>}	113.3330	0.000	1	113.3330	0.000	1	112.9185	0.344	2	112.9185	0.344	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(CC)	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(CC){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	115.0760	0.000	1	115.0760	0.000	1	115.0760	0.000	1	115.1573	0.957	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH)	C(C[5]C[5,6a]O[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|O<1>,2|H<1>}	115.8740	0.089	2	115.8740	0.008	2	115.8740	0.008	2	115.1573	0.957	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH)	C(C[5]C[5,6a]O[5]O)(H)3	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]O)(H)3	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	115.1573	0.957	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO)	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	112.0602	1.249	4	112.0602	1.560	4	112.0602	1.560	4	112.0602	1.560	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:2:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	111.8490	0.645	2	111.8490	0.416	2	111.8490	0.416	2	112.2760	0.461	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:2:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC){1|O<1>,3|C<3>}	112.7030	0.488	2	112.7030	0.238	2	112.7030	0.238	2	112.2760	0.461	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|H<1>,2|O<1>}	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2741	0.436	8	110.2766	0.902	16	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	110.2791	1.320	8	110.2766	0.902	16	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Fe<8>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Fe<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9977	1.202	4	110.3738	0.787	12	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Ge<5>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5618	0.705	8	110.3738	0.787	12	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2{1|Ge<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	110.9460	1.258	4	110.9460	1.583	4	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	109.3030	0.107	2	109.3030	0.012	2	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.0889	0.596	8	111.0889	0.356	8	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,4|H<1>}	110.4780	0.606	10	110.4780	0.367	10	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	111.5085	1.455	2	112.1122	1.250	6	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|H<1>,3|C<3>}	112.4140	1.007	4	112.1122	1.250	6	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	110.8105	0.230	2	110.7158	0.134	6	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.6685	0.444	4	110.7158	0.134	6	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.6665	0.186	2	110.6665	0.035	2	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<3>}	111.5173	1.036	4	111.5173	1.074	4	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.9840	0.467	4	110.6031	1.366	8	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<5>,1|O<2>,2|C<3>,2|H<1>}	110.2223	1.607	4	110.6031	1.366	8	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	111.0965	0.534	4	110.9939	1.061	11	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|Si<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<4>,2|C<3>,2|H<1>}	110.9353	1.270	7	110.9939	1.061	11	110.7294	1.008	89	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	112.9298	0.453	6	112.9298	0.205	6	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|O<2>}	117.0480	1.182	2	117.0480	1.398	2	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<3>}	112.7818	0.814	4	112.7818	0.662	4	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC){1|O<1>,3|C<3>}	112.5750	0.745	2	112.5750	0.555	2	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	112.7890	0.752	4	112.8877	0.539	15	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|N<2>,2|H<1>}	112.7460	1.352	2	112.8877	0.539	15	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	112.9729	0.745	8	112.8877	0.539	15	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	112.8850	0.000	1	112.8877	0.539	15	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	113.0210	0.000	1	113.0210	0.000	1	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	110.1640	2.039	2	110.7903	1.346	14	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|F<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|F<1>,2|H<1>}	110.8186	1.287	8	110.7903	1.346	14	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<2>,2|H<1>}	110.8145	0.687	2	110.7903	1.346	14	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,2|C<3>,3|F<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|H<1>,3|F<1>}	111.2790	0.124	2	110.7903	1.346	14	112.3944	2.692	44	111.2967	2.187	134	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a]){1|H<1>,2|N<2>,2|O<1>}	111.9870	1.007	2	111.9870	1.014	2	111.9870	1.014	2	112.5734	0.728	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){2|C<3>,2|O<1>}	112.7170	0.040	2	112.7170	0.002	2	112.7688	0.633	6	112.5734	0.728	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>}	112.7947	1.026	4	112.7947	1.053	4	112.7688	0.633	6	112.5734	0.728	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:N[5]-2:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|H<1>,2|O<1>}	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.7082	2.767	4	109.7082	7.654	4	110.1588	2.854	10	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.9230	0.175	2	110.9230	0.031	2	110.1588	2.854	10	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.2272	0.483	4	110.2272	0.233	4	110.1588	2.854	10	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.8690	1.843	8	109.7884	4.751	14	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|I<1>,1|O<2>,2|C<3>,2|H<1>}	109.7180	4.387	2	109.7884	4.751	14	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	109.6623	2.492	4	109.7884	4.751	14	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.6914	1.357	8	109.7956	3.564	12	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	110.0040	2.947	4	109.7956	3.564	12	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<1>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<1>,1|O<2>,2|C<3>,2|H<1>}	110.4735	3.679	2	110.4607	12.728	6	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.4543	4.087	4	110.4607	12.728	6	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2729	2.340	8	110.5934	8.122	44	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|H<1>,3|C<3>}	110.6646	2.976	36	110.5934	8.122	44	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.2113	0.617	4	111.2113	0.381	4	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.8645	0.838	4	111.8645	0.703	4	110.4257	6.501	84	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	113.4610	0.594	2	113.4610	0.353	2	113.4610	0.353	2	110.4611	6.154	96	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:4:	4:4:2:1:	3:3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|O<2>}	110.5125	3.065	2	110.5125	9.396	2	110.5125	9.396	2	110.5125	9.396	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3)	C(C[5]C[5,6a]C[5]S)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]S)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.0785	1.917	2	116.0785	3.675	2	116.0785	3.675	2	114.8460	6.395	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3)	C(C[5]C[5,6a]N[5]O)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	114.8460	6.395	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C(C[5]C[5,6a]C[5]O[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C(C[5]C[5,6a]C[5]O[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	110.9044	1.885	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	109.0760	0.000	1	109.0760	0.000	1	109.6825	0.736	2	110.9044	1.885	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	110.2890	0.000	1	110.2890	0.000	1	109.6825	0.736	2	110.9044	1.885	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[5,6a]C[6a]O[5])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>}	111.2820	0.826	2	111.2820	0.682	2	111.2820	0.682	2	110.9044	1.885	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH)	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|S<2>,2|H<1>}	115.3480	0.000	1	115.3480	0.000	1	115.3480	0.000	1	113.5667	2.410	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:N-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH)	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	112.6760	0.246	2	112.6760	0.061	2	112.6760	0.061	2	113.5667	2.410	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:2:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[5]-4:S-4:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3)	C(C[5]C[5,6a]C[5]C)(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.6885	0.392	2	109.6885	0.154	2	109.6885	0.154	2	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.2630	0.000	1	112.5230	0.135	2	112.3795	0.083	4	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.7830	0.000	1	112.5230	0.135	2	112.3795	0.083	4	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.3630	0.000	1	112.3630	0.000	1	112.3795	0.083	4	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	112.1090	0.000	1	112.1090	0.000	1	112.3795	0.083	4	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3)	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	108.9650	0.000	1	108.9650	0.000	1	111.8847	6.435	3	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	113.3445	0.289	2	113.3445	0.084	2	111.8847	6.435	3	111.6166	2.907	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C(C[5]C[5,6a]2C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]2C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.0010	0.000	1	110.0010	0.000	1	109.9755	0.001	2	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C(C[5]C[5,6a]2C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]2C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.9500	0.000	1	109.9500	0.000	1	109.9755	0.001	2	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.9560	0.000	1	109.9560	0.000	1	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	111.2060	0.000	1	111.2060	0.000	1	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	110.8330	0.000	1	110.8330	0.000	1	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.8660	0.000	1	110.3525	4.419	2	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.8390	0.000	1	110.3525	4.419	2	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	112.0540	0.000	1	112.0540	0.000	1	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.2750	0.000	1	112.2750	0.000	1	111.0041	1.526	7	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:I-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.7211	1.095	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	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>}	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.2240	0.891	2	111.2240	0.794	2	111.2240	0.794	2	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	110.4465	0.438	2	109.8022	1.978	5	109.8022	1.978	5	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.0630	0.000	1	109.8022	1.978	5	109.8022	1.978	5	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.7040	0.000	1	109.8022	1.978	5	109.8022	1.978	5	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	107.3510	0.000	1	109.8022	1.978	5	109.8022	1.978	5	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[5]-4:N-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	109.0485	0.148	2	109.0485	0.022	2	109.0485	0.022	2	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	109.9544	1.407	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C)	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(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C){1|H<1>,7|C<3>}	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	111.8730	1.816	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	111.8730	1.816	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:S-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS)	C(C[5]C[5,6a]2N[5])(SPdC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS){1|Pd<4>,1|N<3>,2|H<1>,6|C<3>}	C(C[5]C[5,6a]2N[5])(SPdC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.7470	7.241	2	109.7470	52.429	2	109.7470	52.429	2	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.8853	1.045	3	112.8853	1.093	3	112.8853	1.093	3	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-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)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	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(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.7780	0.034	2	112.7780	0.001	2	113.5353	1.721	3	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.0500	0.000	1	115.0500	0.000	1	113.5353	1.721	3	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.2390	0.255	2	112.2390	0.065	2	112.2390	0.065	2	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.0830	0.000	1	112.1055	0.001	2	114.2032	3.739	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.1280	0.000	1	112.1055	0.001	2	114.2032	3.739	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	115.1650	0.000	1	115.1650	0.000	1	114.2032	3.739	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	115.8200	0.049	2	115.8200	0.002	2	114.2032	3.739	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	112.6680	0.000	1	112.6680	0.000	1	111.3030	0.854	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	110.8870	0.000	1	110.8870	0.000	1	111.3030	0.854	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.6040	0.000	1	110.9867	0.539	3	111.3030	0.854	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.1780	0.926	2	110.9867	0.539	3	111.3030	0.854	5	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:C-3:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	C(C[5]C[5,6a]C[5]N[5])(COO)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	C(C[5]C[5,6a]C[5]N[5])(COO)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	112.3087	5.477	26	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.7680	0.000	1	111.7680	0.000	1	114.1130	10.998	2	114.1130	10.998	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.4580	0.000	1	116.4580	0.000	1	114.1130	10.998	2	114.1130	10.998	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[6]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:N-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	117.4080	0.000	1	117.4080	0.000	1	115.4590	5.238	3	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	114.4845	2.186	2	114.4845	4.777	2	115.4590	5.238	3	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.2255	0.100	2	115.2255	0.010	2	115.2255	0.010	2	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	C(C[5]C[5,6a]C[6a]N[5])(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.8850	1.433	2	111.8850	2.052	2	111.8850	2.052	2	113.5492	6.090	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH)	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	115.0155	7.032	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.6320	0.000	1	114.6320	0.000	1	115.9280	8.199	4	115.0155	7.032	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	118.2740	0.614	2	116.3600	11.179	3	115.9280	8.199	4	115.0155	7.032	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.5320	0.000	1	116.3600	11.179	3	115.9280	8.199	4	115.0155	7.032	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	115.0155	7.032	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.7493	1.707	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	110.7493	1.707	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	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(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<3>,3|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	110.7493	1.707	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	110.7493	1.707	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:Si-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	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(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	111.0250	0.384	6	111.0250	0.147	6	111.0250	0.147	6	110.7493	1.707	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	113.2190	0.000	1	113.2190	0.000	1	112.1000	2.504	2	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	110.9810	0.000	1	110.9810	0.000	1	112.1000	2.504	2	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.7630	1.932	2	112.7630	3.732	2	111.7432	1.457	14	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.2972	1.283	4	111.5732	1.162	12	111.7432	1.457	14	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.7113	1.028	8	111.5732	1.162	12	111.7432	1.457	14	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.6710	0.000	1	108.6710	0.000	1	112.3310	10.047	3	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	114.1660	0.000	1	114.1660	0.000	1	112.3310	10.047	3	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	114.1560	0.000	1	114.1560	0.000	1	112.3310	10.047	3	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	115.3520	0.506	2	115.3520	0.256	2	115.3520	0.256	2	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	112.0380	3.262	23	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.5870	1.396	2	109.5870	1.948	2	109.5870	1.948	2	111.7536	5.984	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	115.1710	0.000	1	115.1710	0.000	1	113.1980	3.170	3	111.7536	5.984	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	111.7110	0.000	1	112.2115	0.501	2	113.1980	3.170	3	111.7536	5.984	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	112.7120	0.000	1	112.2115	0.501	2	113.1980	3.170	3	111.7536	5.984	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	110.9770	1.624	2	110.9770	2.636	2	110.9770	2.636	2	110.9770	2.636	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3)	C(C[5]C[5,6a]C[5]N)(CH3)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	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(C[5]C[5,6a]C[5]N)(CH3)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	111.5560	0.117	2	111.5560	0.014	2	111.5560	0.014	2	111.5560	0.014	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:3:4:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[6]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3)	C(C[5]C[5,6a]C[5]C[6])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]C[6])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	114.8700	0.264	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	114.8700	0.264	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	112.5690	0.251	3	112.5690	0.063	3	112.5690	0.063	3	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	114.6540	0.000	1	114.7670	0.026	2	113.8834	0.972	5	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	114.8800	0.000	1	114.7670	0.026	2	113.8834	0.972	5	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	113.2000	1.099	2	113.2000	1.207	2	113.8834	0.972	5	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	113.4830	0.000	1	113.4830	0.000	1	113.8834	0.972	5	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	C(C[5]C[5,6a]N[5]H)(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH){3|C<3>,3|H<1>}	112.7920	0.000	1	112.7920	0.000	1	113.3235	0.565	2	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	C(C[5]C[5,6a]N[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	113.8550	0.000	1	113.8550	0.000	1	113.3235	0.565	2	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	109.8310	0.000	1	109.8310	0.000	1	111.6407	2.049	4	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	112.0320	0.000	1	112.0320	0.000	1	111.6407	2.049	4	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	113.2750	0.000	1	113.2750	0.000	1	111.6407	2.049	4	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	111.4250	0.000	1	111.4250	0.000	1	111.6407	2.049	4	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.2920	0.000	1	115.2920	0.000	1	115.2920	0.000	1	112.9613	1.971	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.1130	0.000	1	112.1130	0.000	1	112.7670	0.855	2	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.4210	0.000	1	113.4210	0.000	1	112.7670	0.855	2	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.8700	0.156	3	110.8700	0.024	3	113.3642	3.234	14	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.8720	0.342	2	113.5630	0.737	9	113.3642	3.234	14	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	113.3620	0.492	4	113.5630	0.737	9	113.3642	3.234	14	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.9583	0.431	3	113.5630	0.737	9	113.3642	3.234	14	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]2H)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	116.2110	0.932	2	116.2110	0.869	2	113.3642	3.234	14	113.2896	2.902	16	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	115.3720	0.000	1	115.3720	0.000	1	115.3720	0.000	1	114.5613	1.323	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	C(C[5]C[5,6a]N[5]H)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	114.5613	1.323	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H)	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	114.5613	1.323	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	115.3365	3.484	2	112.1955	6.776	104	112.1824	6.717	106	112.1794	6.654	107	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.1340	2.567	102	112.1955	6.776	104	112.1824	6.717	106	112.1794	6.654	107	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.4980	2.513	2	111.4980	6.315	2	112.1824	6.717	106	112.1794	6.654	107	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:2:1:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	112.1794	6.654	107	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	112.2680	0.000	1	112.2680	0.000	1	112.2680	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	112.9283	1.826	3	112.9283	3.334	3	112.9283	3.334	3	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H){6|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	110.9210	1.581	2	110.9210	2.500	2	110.9210	2.500	2	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F)	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|O<1>,3|H<1>}	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	112.4750	0.734	3	112.4750	0.538	3	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	113.0920	0.000	1	113.0920	0.000	1	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	112.6390	0.156	2	112.6390	0.024	2	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	113.4290	0.000	1	113.4290	0.000	1	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.2510	0.000	1	115.2510	0.000	1	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.0720	0.000	1	116.0720	0.000	1	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	118.1260	0.000	1	118.1260	0.000	1	113.8673	3.960	10	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	115.9200	0.000	1	115.9200	0.000	1	115.9200	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH){1|S<4>,2|H<1>,3|C<3>}	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	114.8700	0.000	1	114.8700	0.000	1	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	112.5280	0.191	2	112.5280	0.036	2	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	113.3270	0.000	1	113.3855	0.007	2	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|S<4>,2|C<3>,3|H<1>}	113.4440	0.000	1	113.3855	0.007	2	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	114.3430	0.000	1	114.3430	0.000	1	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	116.7020	0.000	1	116.7020	0.000	1	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	112.8590	0.508	2	112.8590	0.258	2	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	112.2980	0.000	1	112.2980	0.000	1	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	115.6970	1.291	2	115.6970	1.667	2	113.9217	2.203	13	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	110.9820	0.000	1	110.9820	0.000	1	113.3716	2.694	5	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	113.1680	0.346	2	113.1680	0.120	2	113.3716	2.694	5	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	115.4600	0.000	1	115.4600	0.000	1	113.3716	2.694	5	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	114.0800	0.000	1	114.0800	0.000	1	113.3716	2.694	5	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:S[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,1|O<1>,4|H<1>}	113.7710	0.000	1	113.7710	0.000	1	113.7710	0.000	1	113.7254	3.727	41	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.5770	0.000	1	113.5770	0.000	1	113.5770	0.000	1	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.3117	1.540	3	110.3117	2.373	3	111.7939	6.086	9	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.8833	2.566	4	112.8833	6.585	4	111.7939	6.086	9	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|O<2>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	111.8385	3.584	2	111.8385	12.847	2	111.7939	6.086	9	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:Br-1:	C[5]-4:C-3:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br)	C(C[5]C[5,6a]C[5]Br)(COO)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]Br)(COO)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	121.2960	0.000	1	121.2960	0.000	1	121.2960	0.000	1	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.8400	0.000	1	112.5047	2.080	3	112.5047	2.080	3	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	113.2980	0.000	1	112.5047	2.080	3	112.5047	2.080	3	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	113.3760	0.000	1	112.5047	2.080	3	112.5047	2.080	3	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	114.6780	0.775	3	114.6780	0.601	3	114.6780	0.601	3	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	113.0058	7.763	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.4313	0.516	4	118.4313	0.266	4	118.4313	0.266	4	115.2166	7.930	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	114.5830	1.301	2	114.5830	1.693	2	114.5830	1.693	2	115.2166	7.930	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.6150	0.719	3	113.6150	0.517	3	112.8984	1.950	5	115.2166	7.930	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	113.0310	0.000	1	113.0310	0.000	1	112.8984	1.950	5	115.2166	7.930	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	110.6160	0.000	1	110.6160	0.000	1	112.8984	1.950	5	115.2166	7.930	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C(C[5]C[5,6a]2H)(COO)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(COO)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.0390	0.000	1	116.0390	0.000	1	115.6226	3.116	5	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.0660	0.000	1	118.0660	0.000	1	115.6226	3.116	5	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|Cl<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.1750	0.000	1	113.1750	0.000	1	115.6226	3.116	5	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.4165	0.496	2	115.4165	0.246	2	115.6226	3.116	5	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	C(C[5]C[5,6a]N[5]H)(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	114.7401	8.847	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C(C[5]C[5,6a]2H)(COO)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(COO)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	113.1975	0.324	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	113.1975	0.324	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.4470	2.046	2	115.4470	4.188	2	115.4470	4.188	2	115.4470	4.188	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.8915	1.985	2	112.8915	3.940	2	112.8915	3.940	2	112.8915	3.940	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	120.1780	0.450	3	120.1780	0.203	3	120.1780	0.203	3	117.1685	10.967	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	113.9220	0.000	1	113.9220	0.000	1	113.9220	0.000	1	117.1685	10.967	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	114.2775	0.032	2	114.2775	0.001	2	114.2775	0.001	2	117.1685	10.967	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.1343	1.856	4	115.1343	3.446	4	115.1343	3.446	4	116.1467	4.534	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	118.1715	0.185	2	118.1715	0.034	2	118.1715	0.034	2	116.1467	4.534	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CHHO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH){5|C<3>}	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F)	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	114.7590	0.000	1	114.7590	0.000	1	113.5390	2.977	2	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	112.3190	0.000	1	112.3190	0.000	1	113.5390	2.977	2	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	114.3570	0.000	1	114.3570	0.000	1	116.1440	6.387	2	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.9310	0.000	1	117.9310	0.000	1	116.1440	6.387	2	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	116.1505	0.004	2	116.1505	0.000	2	116.1505	0.000	2	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	C(C[5]C[5,6a]N[5]H)(CF3)(F)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(CF3)(F)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	116.1510	0.000	1	116.1510	0.000	1	116.3053	0.313	3	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	116.9260	0.000	1	116.9260	0.000	1	116.3053	0.313	3	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	115.8390	0.000	1	115.8390	0.000	1	116.3053	0.313	3	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	115.2245	3.661	13	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.3145	3.112	2	112.3145	9.684	2	113.2059	6.360	15	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CHHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.3403	2.661	10	113.3403	7.083	10	113.2059	6.360	15	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CHHO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.4770	0.000	1	110.4770	0.000	1	113.2059	6.360	15	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C(C[5]C[5,6a]2H)(CHHP)(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|C<3>,2|H<1>,2|N<2>}	C(C[5]C[5,6a]2H)(CHHP)(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	114.7895	1.175	2	114.7895	1.379	2	113.2059	6.360	15	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.4750	2.341	3	115.4750	5.479	3	115.1286	2.264	7	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	C(C[5]C[5,6a]2H)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.8688	0.815	4	114.8688	0.665	4	115.1286	2.264	7	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	110.4880	0.290	2	110.4880	0.084	2	110.4880	0.084	2	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.2655	0.279	2	111.2655	0.078	2	111.2655	0.078	2	113.4657	6.054	27	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	117.0360	0.000	1	117.0360	0.000	1	115.3870	5.438	2	115.3870	5.438	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	113.7380	0.000	1	113.7380	0.000	1	115.3870	5.438	2	115.3870	5.438	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.9160	1.155	2	112.9160	1.335	2	112.9160	1.335	2	112.9160	1.335	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0085	0.832	2	122.0085	0.693	2	122.0085	0.693	2	116.4753	18.514	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	112.9700	0.692	2	112.9700	0.478	2	114.8520	10.865	3	116.4753	18.514	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.6160	0.000	1	118.6160	0.000	1	114.8520	10.865	3	116.4753	18.514	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	113.7790	0.000	1	113.7790	0.000	1	113.3770	0.323	2	116.4753	18.514	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|S<4>,2|H<1>}	112.9750	0.000	1	112.9750	0.000	1	113.3770	0.323	2	116.4753	18.514	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3280	0.000	1	117.3280	0.000	1	117.3280	0.000	1	117.3145	0.000	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3010	0.000	1	117.3010	0.000	1	117.3010	0.000	1	117.3145	0.000	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H)	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	116.2040	0.000	1	116.2040	0.000	1	116.2040	0.000	1	116.2040	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.4620	0.000	1	117.4620	0.000	1	115.2750	3.590	3	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.1815	0.073	2	114.1815	0.005	2	115.2750	3.590	3	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.8860	0.000	1	115.8860	0.000	1	115.8882	3.532	4	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.1365	1.122	2	115.8890	5.298	3	115.8882	3.532	4	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	113.3940	0.000	1	115.8890	5.298	3	115.8882	3.532	4	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	C(C[5]C[5,6a]N[5]H)(CH3)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(CH3)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	115.0960	5.766	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H)	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.1665	0.957	4	114.1665	0.917	4	114.1665	0.917	4	114.1665	0.917	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:Cl-1:Cl-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH)	C(C[5]C[5,6a]2O)(Cl)2(H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2O)(Cl)2(H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CO){2|C<4>,5|C<3>}	107.7420	1.065	3	107.7420	1.135	3	107.7420	1.135	3	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	111.9395	0.172	2	111.9395	0.030	2	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<2>,3|H<1>}	112.5450	0.000	1	112.5450	0.000	1	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.6160	0.000	2	113.4553	0.077	3	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	113.1340	0.000	1	113.4553	0.077	3	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	113.6955	1.082	4	113.6955	1.170	4	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO){1|Si<4>,1|H<1>,2|C<3>}	113.2010	0.105	2	113.2010	0.011	2	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,2|H<1>}	111.4275	0.056	2	111.4275	0.003	2	112.9164	1.050	14	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH)	C(C[5]C[5,6a]N[5]O)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5]O)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,4|H<1>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH)	C(C[5]C[5,6a]N[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	112.0681	4.768	20	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:Cl-1:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH)	C(C[5]C[5,6a]2O)(Cl)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2O)(Cl)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.5760	0.304	3	113.5760	0.093	3	113.5760	0.093	3	112.5585	0.699	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH)	C(C[5]C[5,6a]2O)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2O)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.1770	0.602	8	112.1770	0.362	8	112.1770	0.362	8	112.5585	0.699	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.0040	0.000	1	114.0040	0.000	1	112.6763	3.157	3	113.3842	1.489	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	113.3670	0.000	1	113.3670	0.000	1	112.6763	3.157	3	113.3842	1.489	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	110.6580	0.000	1	110.6580	0.000	1	112.6763	3.157	3	113.3842	1.489	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.1480	0.165	2	113.4634	0.270	5	113.7382	0.669	6	113.3842	1.489	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.6737	0.600	3	113.4634	0.270	5	113.7382	0.669	6	113.3842	1.489	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	115.1120	0.000	1	115.1120	0.000	1	113.7382	0.669	6	113.3842	1.489	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.5840	0.000	1	111.5840	0.000	1	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.6100	0.000	1	115.6100	0.000	1	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.2490	0.000	1	113.3577	1.116	3	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	113.9120	0.624	2	113.3577	1.116	3	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	115.4025	0.771	2	115.4025	0.595	2	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	117.8450	0.000	1	117.8450	0.000	1	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.8977	0.500	6	116.2768	0.979	13	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	114.2200	0.000	1	116.2768	0.979	13	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	116.9987	0.675	6	116.2768	0.979	13	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.1300	0.000	1	115.1300	0.000	1	115.5748	2.717	22	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	111.9850	2.554	2	111.9850	6.523	2	111.9850	6.523	2	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	110.1400	0.000	1	110.1400	0.000	1	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	110.9265	3.833	2	110.9265	14.694	2	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.8110	0.000	1	113.2165	0.707	2	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	112.6220	0.000	1	113.2165	0.707	2	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.7180	0.000	1	114.6010	1.174	3	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	114.0425	0.691	2	114.6010	1.174	3	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.6160	0.000	1	113.8575	1.151	2	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	113.0990	0.000	1	113.8575	1.151	2	112.9944	4.992	10	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	C(C[5]C[5,6a]C[5]O)(NOO)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(NOO)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	116.7930	0.000	1	114.1580	6.766	3	114.1580	6.766	3	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	111.5920	0.000	1	114.1580	6.766	3	114.1580	6.766	3	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	114.0890	0.000	1	114.1580	6.766	3	114.1580	6.766	3	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a])	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a]){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,3|H<1>}	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC)	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,2|H<1>}	115.6340	0.000	2	115.6340	0.000	2	115.6340	0.000	2	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|Cl<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	113.7130	0.000	1	113.7130	0.000	1	114.3350	0.244	5	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.4905	0.404	4	114.4905	0.164	4	114.3350	0.244	5	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH)	C(C[5]C[5,6a]N[5]O)(NCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(NCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.9275	2.744	2	113.9275	7.531	2	113.9275	7.531	2	114.3750	5.092	51	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	C(C[5]C[5,6a]2O)(COO)(H)2	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2O)(COO)(H)2	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	113.1160	0.279	2	113.1160	0.078	2	113.1160	0.078	2	113.1160	0.078	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH)	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	112.1745	1.064	2	112.1745	1.133	2	112.1745	1.133	2	112.8123	4.198	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	C(C[5]C[5,6a]2O)(COO)(H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2O)(COO)(H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	115.2820	0.375	2	115.2820	0.140	2	113.0248	5.433	6	112.8123	4.198	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH)	C(C[5]C[5,6a]2O)(CCH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2O)(CCH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.8962	1.978	4	111.8962	3.914	4	113.0248	5.433	6	112.8123	4.198	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	114.1100	0.000	1	113.5583	2.133	4	113.5583	2.133	4	113.4891	1.298	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.3743	1.731	3	113.5583	2.133	4	113.5583	2.133	4	113.4891	1.298	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.4592	1.145	4	113.4592	1.311	4	113.4338	0.987	5	113.4891	1.298	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	113.3320	0.000	1	113.3320	0.000	1	113.4338	0.987	5	113.4891	1.298	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.2870	0.000	1	115.2870	0.000	1	116.5459	5.100	8	115.9704	7.442	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	116.8303	1.376	3	115.9790	2.094	6	116.5459	5.100	8	115.9704	7.442	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.1020	0.000	1	115.9790	2.094	6	116.5459	5.100	8	115.9704	7.442	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.1405	1.528	2	115.9790	2.094	6	116.5459	5.100	8	115.9704	7.442	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.2060	0.000	1	121.2060	0.000	1	116.5459	5.100	8	115.9704	7.442	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	115.9704	7.442	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	113.4763	0.399	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	114.1240	0.000	1	114.1240	0.000	1	114.1240	0.000	1	113.4763	0.399	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.4430	0.000	1	113.4430	0.000	1	113.4430	0.000	1	113.4763	0.399	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	110.2680	0.000	1	110.2680	0.000	1	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.4620	0.000	1	111.4620	0.000	1	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	114.3200	0.000	1	114.3200	0.000	1	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	114.2790	0.000	1	114.2790	0.000	1	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.5290	0.000	1	111.5290	0.000	1	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	114.9050	0.423	2	114.9050	0.179	2	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	112.1140	0.000	1	112.1140	0.000	1	112.9727	3.370	8	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:Br-1:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CBr2C)(OH)	C(C[5]C[5,6a]N[5]O)(CHHO)(Br)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CBr2C)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(CHHO)(Br)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	114.5740	0.000	1	114.5740	0.000	1	114.5740	0.000	1	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.3475	0.136	2	114.3475	0.019	2	113.2693	3.497	3	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH)	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|O<1>,2|C<3>,2|H<1>}	111.1130	0.000	1	111.1130	0.000	1	113.2693	3.497	3	113.1803	2.990	12	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	112.5860	0.771	2	112.5860	0.594	2	112.5860	0.594	2	112.5860	0.594	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.8890	0.332	2	112.8890	0.110	2	113.6248	2.112	6	113.0413	4.143	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.9390	1.848	2	112.9390	3.416	2	113.6248	2.112	6	113.0413	4.143	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.3520	0.000	1	114.3520	0.000	1	113.6248	2.112	6	113.0413	4.143	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.7410	0.000	1	115.7410	0.000	1	113.6248	2.112	6	113.0413	4.143	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	113.0413	4.143	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:2:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH)	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.1480	0.000	1	117.1480	0.000	1	117.1480	0.000	1	117.1480	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	112.1130	0.000	1	112.1130	0.000	1	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	109.8240	0.000	1	109.8240	0.000	1	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	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(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	111.9080	0.000	1	111.9080	0.000	1	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.7260	0.038	2	111.7260	0.001	2	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	112.5780	0.000	1	112.5780	0.000	1	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.3752	0.666	4	111.9497	1.309	6	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	113.0985	1.121	2	111.9497	1.309	6	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	112.6990	0.000	1	112.6990	0.000	1	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	114.6590	1.223	2	114.6590	1.496	2	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	110.1540	0.331	2	110.1540	0.110	2	111.9940	2.178	17	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	C(C[5]C[5,6a]C[5]N)(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	112.4945	0.537	2	112.4945	0.288	2	112.4945	0.288	2	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	114.5147	0.343	4	114.5147	0.118	4	113.7157	1.700	6	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){3|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	112.1175	0.695	2	112.1175	0.483	2	113.7157	1.700	6	112.4472	2.366	25	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	C(C[5]C[5,6a]C[5,6]N)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]N)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.0465	0.981	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(CCO)	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(CCO){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	111.0465	0.981	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	114.6730	0.000	2	114.6730	0.000	2	114.6730	0.000	2	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.6940	0.000	1	113.6940	0.000	1	115.2060	3.051	3	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO){1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,2|O<2>}	117.1180	0.000	1	117.1180	0.000	1	115.2060	3.051	3	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	114.8060	0.000	1	114.8060	0.000	1	115.2060	3.051	3	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.2985	0.909	2	114.2985	0.826	2	113.9330	0.448	5	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.8755	0.561	2	113.8755	0.314	2	113.9330	0.448	5	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.3170	0.000	1	113.3170	0.000	1	113.9330	0.448	5	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	112.7020	0.281	2	112.7020	0.079	2	112.8100	1.937	5	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	111.7570	0.192	2	111.7570	0.037	2	112.8100	1.937	5	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|O<1>,1|O<2>,2|C<3>}	115.1320	0.000	1	115.1320	0.000	1	112.8100	1.937	5	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	113.6930	0.000	1	113.6930	0.000	1	113.6930	0.000	1	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(COO)	C(C[5]C[5,6a]N[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	112.3680	0.000	1	112.3680	0.000	1	111.8405	0.557	2	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)(COO)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)(COO){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){2|C<3>,2|H<1>,2|O<1>}	111.3130	0.000	1	111.3130	0.000	1	111.8405	0.557	2	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO)	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC){1|O<2>,2|H<1>,3|C<3>}	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	113.4960	2.390	22	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.9410	0.000	1	115.9410	0.000	1	115.9410	0.000	1	115.9410	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	109.6900	0.000	1	110.6690	1.917	2	110.6690	1.917	2	110.6690	1.917	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.6480	0.000	1	110.6690	1.917	2	110.6690	1.917	2	110.6690	1.917	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	113.0419	20.444	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	111.9270	3.671	2	111.9270	13.478	2	115.5682	11.781	6	113.0419	20.444	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.3888	1.372	4	117.3888	1.884	4	115.5682	11.781	6	113.0419	20.444	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	113.0419	20.444	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	111.4650	1.302	2	111.4650	1.696	2	111.4650	1.696	2	113.0419	20.444	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H)	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.8030	0.000	1	103.8030	0.000	1	103.8030	0.000	1	113.0419	20.444	11	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[6]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[6]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.6445	0.558	2	108.6445	0.311	2	108.6445	0.311	2	108.6445	0.311	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	110.8945	0.088	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.8068	0.228	5	110.8068	0.052	5	110.8068	0.052	5	110.8945	0.088	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	113.0150	17.630	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:3:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	113.0150	17.630	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.5780	0.000	1	114.5780	0.000	1	113.4900	1.067	3	113.4900	1.067	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.5230	0.000	1	112.5230	0.000	1	113.4900	1.067	3	113.4900	1.067	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.3690	0.000	1	113.3690	0.000	1	113.4900	1.067	3	113.4900	1.067	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(COO)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(COO){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.5325	0.500	4	112.5325	0.250	4	112.5325	0.250	4	112.5325	0.250	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	109.7000	0.945	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	109.7000	0.945	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:S-4:N-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	109.7000	0.945	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.3375	1.438	2	113.3375	2.067	2	113.3375	2.067	2	114.0907	2.735	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	114.0907	2.735	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(CCO)	C(C[5]C[5,6a]2C)(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(CCO){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.8645	1.749	2	110.8645	3.058	2	110.8645	3.058	2	110.8645	3.058	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	113.5900	0.536	2	113.5900	0.287	2	113.5900	0.287	2	113.5900	0.287	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC){2|H<1>,5|C<3>}	112.5105	0.189	2	112.5105	0.036	2	112.5105	0.036	2	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C(C[5]C[5,6a]C[5]C)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	112.4750	1.672	2	112.4750	2.794	2	112.4750	2.794	2	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	109.5192	2.147	4	109.5192	4.611	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	100.8680	0.000	1	100.8680	0.000	1	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	111.0365	1.053	2	111.0365	1.109	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|B<6>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<6>,2|C<3>,2|H<1>}	111.7315	0.404	2	111.4698	0.878	8	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	111.3825	1.077	6	111.4698	0.878	8	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	111.4303	1.488	4	111.4303	2.214	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|H<1>,2|C<3>}	111.1660	1.605	2	111.1660	2.576	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	111.6620	0.940	8	111.6620	0.883	8	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	110.4670	0.365	2	110.8473	0.501	3	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	111.6080	0.000	1	110.8473	0.501	3	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	112.4845	1.023	2	112.4845	1.047	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	111.7595	0.114	2	111.6523	0.532	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|Cl<1>,2|C<3>,2|H<1>}	111.5450	1.240	2	111.6523	0.532	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	112.2432	1.899	12	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	110.1302	2.036	4	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.3545	0.865	2	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	110.2108	1.317	6	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	110.3628	1.020	128	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	112.4035	0.523	4	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Br<1>,1|C<3>,1|C<4>}	112.1560	0.677	2	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	110.7722	1.146	18	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,2|C<3>,2|H<1>}	111.2631	2.050	18	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|F<1>,2|C<3>,2|H<1>}	111.8195	1.530	4	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	111.3855	0.501	2	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	110.8732	1.250	16	110.7057	1.833	216	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	111.8390	1.901	2	111.8390	3.613	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	109.8820	0.308	2	112.4812	5.420	14	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.2223	0.888	4	112.4812	5.420	14	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	113.2605	2.656	8	112.4812	5.420	14	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.6720	0.000	1	113.6720	0.000	1	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	111.7540	0.157	2	111.7540	0.025	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.1530	0.000	1	109.6748	0.423	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.1520	0.416	2	109.6748	0.423	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	110.2420	0.000	1	109.6748	0.423	4	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.3920	1.937	2	111.3920	3.754	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.4745	0.739	2	112.4745	0.546	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.0420	0.000	1	112.0420	0.000	1	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.0610	0.000	1	111.0465	0.000	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.0320	0.000	1	111.0465	0.000	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	112.1210	0.000	1	112.1210	0.000	1	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	112.5890	0.000	1	112.5890	0.000	1	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	113.3105	1.324	2	113.3105	1.754	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>}	113.0020	1.960	2	113.0020	3.842	2	110.9110	2.544	290	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|F<1>,4|C<3>}	111.1763	0.775	4	111.5468	2.458	36	111.5468	2.458	36	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	111.2801	1.218	26	111.5468	2.458	36	111.5468	2.458	36	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|C<4>,2|H<1>,3|C<3>}	113.1040	3.265	4	111.5468	2.458	36	111.5468	2.458	36	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	112.6415	0.812	2	111.5468	2.458	36	111.5468	2.458	36	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	C(C[5]C[5,6a]C[5]P)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5]C[5,6a]C[5]P)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	113.0540	0.000	1	113.0540	0.000	1	111.5053	1.953	3	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(CH3)	C(C[5]C[5,6a]C[5]P)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5]C[5,6a]C[5]P)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	110.7310	0.556	2	110.7310	0.309	2	111.5053	1.953	3	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.8210	0.000	1	111.5235	0.987	2	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,3|H<1>}	112.2260	0.000	1	111.5235	0.987	2	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	114.2490	1.811	4	114.2490	3.279	4	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	113.4000	0.202	2	112.9021	0.799	42	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.2498	0.723	24	112.9021	0.799	42	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.7117	0.715	8	112.9021	0.799	42	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.9253	0.582	8	112.9021	0.799	42	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	110.1511	0.866	8	110.1511	0.750	8	112.5561	2.068	56	111.2275	2.783	389	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a]){1|O<1>,4|C<3>}	111.5790	1.246	2	111.5790	1.552	2	111.5790	1.552	2	111.5790	1.552	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	111.0888	0.660	4	111.0888	0.435	4	111.0888	0.435	4	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	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(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	111.1890	1.267	2	111.1890	1.606	2	111.1890	1.606	2	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.0460	0.000	1	111.0460	0.000	1	111.8808	0.467	6	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	112.0815	1.108	2	112.0815	1.228	2	111.8808	0.467	6	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.0253	0.366	3	112.0253	0.134	3	111.8808	0.467	6	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:Cl-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH)	C(C[5]C[5,6a]2C)(Cl)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(Cl)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.4360	6.679	2	110.4360	44.613	2	110.4360	44.613	2	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	111.9300	0.962	2	111.9300	0.925	2	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3)	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	109.5840	0.017	2	109.5840	0.000	2	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3)	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.7616	0.775	12	109.7616	0.600	12	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3)	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.3010	0.293	2	113.3010	0.086	2	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	111.2985	0.371	4	111.2985	0.138	4	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	111.2335	0.608	12	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	111.2975	0.734	10	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	111.3270	0.873	6	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	111.2356	0.488	13	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	111.3283	0.600	6	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	111.2876	0.918	38	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	111.3387	0.341	6	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	111.4595	0.887	92	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.3273	0.742	93	111.3567	0.630	276	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|C<3>,2|H<1>,2|N<2>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	111.2114	0.438	8	111.2114	0.191	8	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.7610	0.113	2	109.7610	0.013	2	111.2845	0.753	308	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	C(C[5]C[5,6a]2Ge)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2Ge)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.3955	0.726	4	113.3955	0.527	4	113.3955	0.527	4	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(CH3)	C(C[5]C[5,6a]2Si)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2Si)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.0200	1.321	2	111.0200	1.745	2	111.0200	1.745	2	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.1830	1.744	2	109.1830	3.041	2	109.1830	3.041	2	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	108.5800	0.000	1	111.3930	15.826	2	111.0647	1.338	23	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){4|C<3>,5|H<1>}	114.2060	0.000	1	111.3930	15.826	2	111.0647	1.338	23	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	110.8030	0.607	2	111.0334	0.668	21	111.0647	1.338	23	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	110.7198	0.273	4	111.0334	0.668	21	111.0647	1.338	23	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	111.8940	0.000	1	111.0334	0.668	21	111.0647	1.338	23	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	111.0944	0.940	14	111.0334	0.668	21	111.0647	1.338	23	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br){2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	107.7330	0.000	1	107.7330	0.000	1	110.3442	3.485	6	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	111.5210	0.474	4	110.8664	2.311	5	110.3442	3.485	6	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	108.2480	0.000	1	110.8664	2.311	5	110.3442	3.485	6	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	C(C[5]C[5,6a]N[5a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	114.1090	0.000	1	114.1090	0.000	1	114.1090	0.000	1	111.2754	1.053	361	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.6140	0.000	1	113.6140	0.000	1	112.5760	2.155	2	112.8175	4.929	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.5380	0.000	1	111.5380	0.000	1	112.5760	2.155	2	112.8175	4.929	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	112.8175	4.929	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2{1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	112.8175	4.929	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	111.1610	2.014	4	111.1610	4.056	4	111.1610	4.056	4	111.1610	4.056	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	111.0830	1.142	3	111.0830	1.305	3	111.5572	1.769	4	111.5572	1.769	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.9800	0.000	1	112.9800	0.000	1	111.5572	1.769	4	111.5572	1.769	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:2:2:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C-4:	C[5]-4:C-2:C-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2H)(CCCH)	C(C[5]C[5,6a]2C[6])(CN)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2H)(CCCH){2|H<1>,8|C<3>}	C(C[5]C[5,6a]2C[6])(CN)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.6620	2.489	2	110.6620	6.195	2	110.6620	6.195	2	110.6620	6.195	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	111.3020	0.076	2	111.3020	0.006	2	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	113.5400	0.000	1	113.5400	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	114.3740	0.000	1	114.3740	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	116.4450	0.000	1	116.4450	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	116.5040	0.000	1	116.5040	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.3130	0.000	1	111.3130	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	111.5080	2.222	2	111.5080	4.936	2	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.5350	0.392	2	114.5350	0.153	2	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.4280	0.325	2	113.4280	0.106	2	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	115.8065	1.098	2	115.8065	1.206	2	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	112.2560	0.000	1	112.2560	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.7623	0.235	6	113.7623	0.055	6	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	114.4780	0.000	1	114.4780	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	113.9940	0.000	1	113.9940	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	114.6700	0.000	1	114.6700	0.000	1	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	113.6550	0.556	2	113.8223	0.238	3	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	114.1570	0.000	1	113.8223	0.238	3	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	115.0003	0.164	3	115.0003	0.027	3	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	110.8970	0.000	2	110.8970	0.000	2	113.6839	2.653	33	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	116.3320	0.000	1	116.3320	0.000	1	114.7260	1.259	5	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	114.3245	0.777	4	114.3245	0.604	4	114.7260	1.259	5	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	116.4300	0.000	1	116.4300	0.000	1	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.5500	0.000	1	115.5500	0.000	1	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.9230	0.661	6	114.0507	0.478	7	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	114.8170	0.000	1	114.0507	0.478	7	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	116.2230	0.000	1	116.2230	0.000	1	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.7075	1.111	2	114.7075	1.234	2	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.5295	0.269	2	113.5295	0.073	2	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	113.5320	0.198	2	113.3595	0.153	6	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	113.2733	0.460	4	113.3595	0.153	6	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	113.8590	0.000	1	113.8590	0.000	1	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	111.8430	0.533	3	111.8430	0.285	3	113.8574	1.573	24	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.9980	0.000	1	116.9980	0.000	1	115.3090	5.705	2	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.6200	0.000	1	113.6200	0.000	1	115.3090	5.705	2	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.8710	0.000	1	109.5530	0.202	2	109.5530	0.202	2	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,3|H<1>}	109.2350	0.000	1	109.5530	0.202	2	109.5530	0.202	2	113.7340	2.703	67	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	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(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.8959	2.553	8	110.8959	6.518	8	111.7098	11.785	14	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	113.6180	2.151	2	113.6180	4.627	2	111.7098	11.785	14	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCP)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCP)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.3835	5.433	4	112.3835	29.519	4	111.7098	11.785	14	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	112.4575	0.411	2	112.4575	0.169	2	112.4575	0.169	2	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.0070	0.713	4	110.0070	0.508	4	110.0843	0.456	6	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.2390	0.827	2	110.2390	0.684	2	110.0843	0.456	6	111.3872	7.426	24	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.3780	0.000	1	113.3780	0.000	1	113.3780	0.000	1	113.3780	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	116.1880	14.956	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.2380	0.000	1	119.1040	1.500	2	118.9037	0.870	3	116.1880	14.956	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9700	0.000	1	119.1040	1.500	2	118.9037	0.870	3	116.1880	14.956	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.5030	0.000	1	118.5030	0.000	1	118.9037	0.870	3	116.1880	14.956	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	116.1880	14.956	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	112.4860	0.000	1	112.4860	0.000	1	112.4928	4.479	4	112.4928	4.479	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	115.2760	0.000	1	115.2760	0.000	1	112.4928	4.479	4	112.4928	4.479	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	111.1045	1.356	2	111.1045	1.837	2	112.4928	4.479	4	112.4928	4.479	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	113.7130	0.000	1	113.7130	0.000	1	114.3517	0.306	3	114.3517	0.306	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.6710	0.000	2	114.6710	0.000	2	114.3517	0.306	3	114.3517	0.306	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	112.6330	0.337	2	112.6330	0.113	2	112.6330	0.113	2	112.6330	0.113	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:P-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){2|C<4>,5|C<3>}	112.6496	1.510	8	112.6496	2.281	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){1|C<4>,1|S<4>,5|C<3>}	113.1945	1.143	4	113.0679	0.782	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){1|C<4>,6|C<3>}	113.2855	0.411	2	113.0679	0.782	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){2|C<4>,5|C<3>}	112.5970	0.885	2	113.0679	0.782	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){2|C<4>,6|C<3>}	114.0805	3.579	2	114.0710	7.445	4	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){3|C<4>,5|C<3>}	114.0615	3.087	2	114.0710	7.445	4	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|N<3>,5|C<3>}	113.1875	0.844	2	113.1306	0.594	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|O<2>,5|C<3>}	112.8145	0.590	2	113.1306	0.594	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|S<2>,5|C<3>}	113.2602	0.970	4	113.1306	0.594	8	113.1096	1.976	28	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]CC){2|S<2>,5|C<3>}	112.6785	0.211	2	112.6785	0.045	2	112.6785	0.045	2	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	112.0985	1.612	6	112.0985	2.599	6	112.0985	2.599	6	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|N<3>,5|C<3>}	112.6605	1.640	2	112.5790	0.679	8	112.5790	0.679	8	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|O<2>,5|C<3>}	112.2030	1.219	2	112.5790	0.679	8	112.5790	0.679	8	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|S<2>,5|C<3>}	112.7262	0.255	4	112.5790	0.679	8	112.5790	0.679	8	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	114.4630	0.000	1	114.4630	0.000	1	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	111.8650	0.745	2	111.8650	0.555	2	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	112.9365	1.019	2	112.9365	1.038	2	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	113.8590	0.000	1	113.8590	0.000	1	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.6080	0.000	1	118.6080	0.000	1	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	117.1345	0.310	2	116.8133	0.358	3	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.1710	0.000	1	116.8133	0.358	3	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.9530	0.000	1	112.9530	0.000	1	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.3300	0.000	1	114.3300	0.000	1	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	111.6502	4.841	8	111.6502	23.434	8	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.8740	0.000	2	108.8740	0.000	2	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	113.9590	0.000	1	113.9590	0.000	1	113.0072	13.554	23	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.3310	0.000	1	118.3310	0.000	1	117.4650	1.500	2	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.5990	0.000	1	116.5990	0.000	1	117.4650	1.500	2	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.3125	0.132	2	110.7645	0.644	4	110.9014	0.577	5	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,3|H<1>}	110.2165	0.845	2	110.7645	0.644	4	110.9014	0.577	5	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2{1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	111.4490	0.000	1	111.4490	0.000	1	110.9014	0.577	5	112.8953	6.042	74	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	111.7416	1.072	8	111.7416	1.149	8	111.8033	2.026	16	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O){1|O<2>,1|S<2>,3|C<3>}	112.7223	0.942	4	112.7223	0.887	4	111.8033	2.026	16	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,4|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	111.0075	2.140	4	111.0075	4.580	4	111.8033	2.026	16	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	112.8305	1.899	2	112.8305	3.605	2	112.8305	3.605	2	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	108.6761	1.607	7	108.6761	2.583	7	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.2105	1.241	4	108.7873	0.884	20	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	108.9635	0.415	2	108.7873	0.884	20	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.9269	0.892	14	108.7873	0.884	20	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	113.9170	0.389	2	113.9170	0.151	2	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCCH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCCH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	111.8097	1.755	4	111.8097	3.081	4	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	111.8312	2.775	12	111.8312	7.702	12	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	111.7485	0.052	2	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	111.9541	0.815	12	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	111.7110	0.838	20	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	111.2515	1.343	2	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	112.0050	1.954	2	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	111.5831	0.801	12	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	111.7066	1.444	74	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	111.7615	1.908	2	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.7385	1.225	48	111.7238	1.509	174	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Au<2>,1|H<1>,3|C<3>}	112.1905	0.797	8	111.6164	2.327	114	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	111.8157	0.851	10	111.6164	2.327	114	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	111.7380	1.030	2	111.6164	2.327	114	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	112.1321	1.064	20	111.6164	2.327	114	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	111.3153	1.729	60	111.6164	2.327	114	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.6827	1.737	14	111.6164	2.327	114	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CHHO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	111.9377	1.105	4	111.9377	1.220	4	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.0812	0.512	4	110.0812	0.262	4	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.2230	0.058	2	111.2230	0.003	2	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.0816	1.082	10	109.0816	1.170	10	111.3855	2.713	353	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.1763	2.232	6	114.1763	4.980	6	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.4315	0.592	2	116.4315	0.350	2	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3)	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.5550	1.165	12	114.5550	1.358	12	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.3455	0.293	2	111.3455	0.086	2	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.8474	1.688	8	112.8474	2.849	8	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.0435	1.436	2	113.0435	2.062	2	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.5120	2.578	2	114.5120	6.647	2	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.2075	3.563	2	115.2075	12.696	2	113.9883	3.638	36	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH)	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH){2|H<1>,8|C<3>}	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.0397	1.536	4	113.0397	2.360	4	112.4340	2.381	6	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH){2|H<1>,8|C<3>}	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	111.2225	0.650	2	111.2225	0.422	2	112.4340	2.381	6	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:S-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS)	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	116.6790	0.000	1	117.3895	1.010	2	117.3895	1.010	2	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:S-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS)	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1000	0.000	1	117.3895	1.010	2	117.3895	1.010	2	111.6784	3.437	415	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:4:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:2:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,2|O<1>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.7800	0.249	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:2:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,2|C<4>,2|H<1>}	114.7280	0.694	2	114.7280	0.482	2	114.7280	0.482	2	114.7800	0.249	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:2:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,2|H<1>}	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:2:3:	4:3:1:1:	3:3:4:	C[5,6a]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:2:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:2:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH)	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	113.1215	0.401	2	113.1215	0.161	2	113.1215	0.161	2	113.1215	0.161	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	110.9245	1.454	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5,6a]C[5]2)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	110.9245	1.454	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[5]C[5,6a]C[5]2)(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	114.3865	1.202	4	114.3865	1.445	4	114.3865	1.445	4	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.3620	0.000	1	115.3620	0.000	1	112.6977	5.631	6	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.8210	0.000	1	109.8210	0.000	1	112.6977	5.631	6	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.8770	0.000	1	112.2813	5.063	3	112.6977	5.631	6	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.8860	0.000	1	112.2813	5.063	3	112.6977	5.631	6	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	111.0810	0.000	1	112.2813	5.063	3	112.6977	5.631	6	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	114.1590	0.000	1	114.1590	0.000	1	112.6977	5.631	6	113.3732	4.370	10	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH){1|H<1>,7|C<3>}	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	113.4985	4.419	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH)	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	113.4985	4.419	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.2060	0.132	2	114.2060	0.017	2	113.9383	0.224	3	113.9383	0.224	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.4030	0.000	1	113.4030	0.000	1	113.9383	0.224	3	113.9383	0.224	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	107.4257	2.150	3	107.4257	4.622	3	107.4257	4.622	3	107.4257	4.622	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	114.6280	1.544	2	114.6280	2.385	2	114.1265	1.594	6	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	115.6690	0.000	1	115.6690	0.000	1	114.1265	1.594	6	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	113.7560	0.000	1	113.7560	0.000	1	114.1265	1.594	6	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	112.7240	0.000	1	112.7240	0.000	1	114.1265	1.594	6	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	113.3540	0.000	1	113.3540	0.000	1	114.1265	1.594	6	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|C<4>,3|H<1>}	110.7560	0.000	1	110.7560	0.000	1	111.8875	2.561	2	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.0190	0.000	1	113.0190	0.000	1	111.8875	2.561	2	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.2830	0.000	1	111.2830	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	111.6170	0.000	1	111.6170	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.9940	0.000	1	117.2030	35.431	2	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>,3|C<4>}	121.4120	0.000	1	117.2030	35.431	2	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.3570	0.000	1	111.3570	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	113.8104	1.586	5	113.1139	3.434	8	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	111.9530	1.937	3	113.1139	3.434	8	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	112.4660	0.000	1	112.4660	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	113.4870	0.000	1	113.4870	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH){1|C<3>,6|H<1>}	108.6080	0.000	1	108.6080	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Pd<5>,2|H<1>,3|C<3>}	114.4620	1.747	2	114.4620	3.050	2	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H){1|H<1>,1|P<5>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	110.5960	0.000	1	110.5960	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	110.3700	0.000	1	110.3700	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	116.9670	0.000	1	116.9670	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	110.8235	1.392	2	110.8235	1.938	2	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	112.5580	0.000	1	112.5580	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	112.8457	0.428	3	112.8457	0.183	3	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Rh<3>,2|C<3>,2|C<4>,2|H<1>}	113.5170	0.000	1	113.5170	0.000	1	112.9018	6.299	28	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	112.9530	1.922	2	112.9530	3.694	2	112.9530	3.694	2	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(O)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(O){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	115.8380	0.000	1	116.0459	0.338	7	116.1661	0.406	8	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	115.8880	0.342	2	116.0459	0.338	7	116.1661	0.406	8	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	116.2710	0.907	3	116.0459	0.338	7	116.1661	0.406	8	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	115.8940	0.000	1	116.0459	0.338	7	116.1661	0.406	8	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5]H)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	117.0080	0.000	1	117.0080	0.000	1	116.1661	0.406	8	113.4879	5.828	48	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	115.1910	0.000	2	115.1910	0.000	2	115.0187	0.089	3	114.9374	1.908	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.6740	0.000	1	114.6740	0.000	1	115.0187	0.089	3	114.9374	1.908	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	116.5520	0.058	2	116.5520	0.003	2	114.8765	3.744	4	114.9374	1.908	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	113.2010	0.000	2	113.2010	0.000	2	114.8765	3.744	4	114.9374	1.908	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	111.3890	0.000	1	111.3890	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	113.4370	0.000	1	113.4370	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	117.0430	0.000	1	117.0430	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	110.1010	3.114	2	112.2120	7.300	9	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<2>,2|C<3>,4|H<1>}	113.2803	1.161	3	112.2120	7.300	9	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.6260	0.016	2	112.2120	7.300	9	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,5|H<1>}	115.3065	1.068	2	112.2120	7.300	9	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	111.4250	0.000	1	111.4250	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	111.6935	0.443	2	111.6935	0.197	2	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	112.1950	0.000	1	112.3170	0.030	2	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	112.4390	0.000	1	112.3170	0.030	2	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.6470	0.000	1	115.6470	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	111.4155	0.681	2	111.4155	0.464	2	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	111.0520	0.000	1	111.0520	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	114.8050	0.000	1	113.5345	3.228	2	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	112.2640	0.000	1	113.5345	3.228	2	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	114.0530	0.000	1	114.0530	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	116.4610	0.000	1	116.4610	0.000	1	112.7334	5.065	25	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:F-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	111.0940	0.655	2	111.0940	0.429	2	111.0530	0.219	3	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	110.9710	0.000	1	110.9710	0.000	1	111.0530	0.219	3	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	113.0885	1.152	2	113.0885	1.327	2	111.2368	5.375	4	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	110.1210	0.000	1	110.1210	0.000	1	111.2368	5.375	4	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	108.6490	0.000	1	108.6490	0.000	1	111.2368	5.375	4	112.3792	4.746	33	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	113.5676	0.111	7	114.0500	1.872	8	113.9244	1.516	12	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	117.4270	0.000	1	114.0500	1.872	8	113.9244	1.516	12	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	112.4610	0.000	1	112.4610	0.000	1	113.9244	1.516	12	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.7290	0.000	1	113.9675	1.160	2	113.9244	1.516	12	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	113.2060	0.000	1	113.9675	1.160	2	113.9244	1.516	12	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.2970	0.000	1	114.2970	0.000	1	113.9244	1.516	12	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.8200	0.000	1	115.8200	0.000	1	114.6620	2.682	2	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	113.5040	0.000	1	113.5040	0.000	1	114.6620	2.682	2	114.1866	1.818	15	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-2:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	117.7000	0.000	1	117.7000	0.000	1	117.9900	0.168	2	116.7843	2.705	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,3|C<3>,3|H<1>}	118.2800	0.000	1	118.2800	0.000	1	117.9900	0.168	2	116.7843	2.705	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	115.5785	1.460	2	115.5785	2.132	2	115.5785	2.132	2	116.7843	2.705	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.5700	0.224	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	114.6280	0.653	2	114.6280	0.427	2	114.6280	0.427	2	114.5700	0.224	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	115.1990	0.000	1	115.1990	0.000	1	115.1990	0.000	1	115.1990	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.0750	0.000	1	116.0750	0.000	1	116.0750	0.000	1	116.0750	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	114.1390	1.830	2	114.1390	3.349	2	114.1390	3.349	2	114.1390	3.349	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	117.2970	0.000	1	117.2970	0.000	1	117.2970	0.000	1	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.3763	1.471	3	113.3763	2.165	3	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2060	3.182	2	111.2060	10.125	2	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	109.3230	0.000	1	109.3230	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	115.4320	0.000	1	115.4320	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	109.4400	0.000	1	109.4400	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	114.9260	0.000	1	114.9260	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,5|H<1>}	112.4810	0.000	1	112.4810	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	113.9630	0.000	1	113.9630	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	116.6956	2.725	5	116.6956	7.425	5	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	112.4400	0.000	1	112.4400	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	110.5280	0.000	1	110.5280	0.000	1	113.5862	9.209	18	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:Si-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|Si<4>,2|Cl<1>,2|C<3>,2|H<1>}	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|C<4>,4|H<1>}	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	113.7555	8.606	21	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.3270	0.000	1	111.3270	0.000	1	113.2045	7.050	2	113.2045	7.050	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	115.0820	0.000	1	115.0820	0.000	1	113.2045	7.050	2	113.2045	7.050	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	115.8730	0.000	1	115.8730	0.000	1	115.8730	0.000	1	115.8730	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	113.0370	0.325	2	113.0370	0.106	2	113.0370	0.106	2	113.0370	0.106	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H)	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>}	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:Cl-1:Cl-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH)	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,4|H<1>}	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	112.8970	5.527	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	110.4790	0.000	1	110.4790	0.000	1	113.1120	6.562	5	112.8970	5.527	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,5|H<1>}	115.4180	0.000	1	114.1185	3.377	2	113.1120	6.562	5	112.8970	5.527	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<2>,5|H<1>}	112.8190	0.000	1	114.1185	3.377	2	113.1120	6.562	5	112.8970	5.527	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<10>,1|C<3>,2|C<4>,2|H<1>}	110.8030	0.000	1	110.8030	0.000	1	113.1120	6.562	5	112.8970	5.527	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|H<1>,3|C<3>}	116.0410	0.000	1	116.0410	0.000	1	113.1120	6.562	5	112.8970	5.527	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH)	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	115.0720	0.000	1	115.0720	0.000	1	112.2308	3.890	4	112.2308	3.890	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH)	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.9315	0.402	2	110.9315	0.162	2	112.2308	3.890	4	112.2308	3.890	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH)	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	111.9880	0.000	1	111.9880	0.000	1	112.2308	3.890	4	112.2308	3.890	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH)	C(C[5]C[5,6a]C[5]O)(COO)(F)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]O)(COO)(F)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	110.8805	1.107	2	110.8805	1.225	2	110.8805	1.225	2	111.3313	1.222	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,4|H<1>}	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	111.3313	1.222	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6])	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6]){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	111.3160	0.000	1	111.3160	0.000	1	112.2793	5.248	4	113.1426	7.663	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	113.9040	2.076	2	112.6003	7.254	3	112.2793	5.248	4	113.1426	7.663	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	109.9930	0.000	1	112.6003	7.254	3	112.2793	5.248	4	113.1426	7.663	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	116.5960	0.000	1	116.5960	0.000	1	116.5960	0.000	1	113.1426	7.663	5	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.8030	0.000	1	111.8030	0.000	1	111.5327	5.634	4	111.5327	5.634	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,4|H<1>}	110.6080	0.000	1	110.6080	0.000	1	111.5327	5.634	4	111.5327	5.634	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	111.8600	3.970	2	111.8600	15.758	2	111.5327	5.634	4	111.5327	5.634	4	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO)	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO){2|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	117.0690	0.000	1	117.0690	0.000	1	113.0875	15.509	6	113.0875	15.509	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.2912	3.825	5	112.2912	14.630	5	113.0875	15.509	6	113.0875	15.509	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2{1|B<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	111.1435	2.481	28	111.1435	6.155	28	111.1435	6.155	28	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5]CC){4|H<1>,5|C<3>}	111.0650	0.141	2	111.0650	0.020	2	111.0650	0.020	2	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	115.3300	0.000	1	115.3300	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	111.1953	0.996	4	111.1953	0.991	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.0170	2.110	2	111.0170	4.452	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.5282	2.327	4	111.5282	5.417	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	111.2390	1.632	4	111.1433	2.638	49	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.9912	1.108	12	111.1433	2.638	49	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	111.2945	1.827	8	111.1433	2.638	49	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	111.1262	1.858	13	111.1433	2.638	49	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,3|H<1>}	111.1811	1.903	12	111.1433	2.638	49	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	110.5115	2.986	2	110.4333	3.747	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.3550	1.516	2	110.4333	3.747	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	111.6310	1.737	4	111.6310	3.016	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	112.8058	0.848	4	112.2297	1.917	23	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	112.5885	2.644	4	112.2297	1.917	23	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.9614	0.990	11	112.2297	1.917	23	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<3>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	112.0325	1.467	4	112.2297	1.917	23	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|S<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.2880	4.852	4	113.2880	23.543	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	112.3570	4.443	2	112.3570	19.744	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	112.4900	2.710	2	112.4900	7.342	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.2505	1.566	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	111.3625	1.169	6	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	110.8083	1.394	4	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	110.9070	0.024	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	110.5905	2.968	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>,3|C<4>}	111.3450	1.123	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,4|H<1>}	111.7805	1.394	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|P<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|C<4>,3|H<1>}	110.6820	1.643	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	111.8250	2.680	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|O<2>,4|H<1>}	111.5855	2.658	2	111.2054	1.924	26	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	109.6995	2.586	2	109.6995	6.687	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	113.2300	0.000	1	113.2300	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	114.2080	0.000	1	114.2080	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	115.3430	0.000	1	115.3430	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2{3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,5|H<1>}	111.2580	4.459	2	111.2580	19.883	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	110.9585	3.161	2	110.9585	9.995	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	110.9160	0.000	1	110.9160	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	114.3720	0.000	1	114.3720	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	113.4480	0.000	1	113.4480	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	111.7345	1.166	2	111.5815	7.343	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	111.4285	4.536	2	111.5815	7.343	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	114.1310	0.000	1	114.1310	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	113.4260	0.000	1	113.4260	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	112.6940	0.000	1	112.6940	0.000	1	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	112.6740	4.726	2	112.5712	12.614	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){2|C<3>,3|H<1>}	112.4685	3.932	2	112.5712	12.614	4	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	115.7700	0.645	2	115.7700	0.416	2	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	111.2933	2.019	6	111.1263	3.918	12	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,2|C<3>,2|C<4>,2|H<1>}	111.1170	4.462	2	111.1263	3.918	12	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	110.6070	0.991	2	111.1263	3.918	12	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{2|Mo<9>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	111.1535	1.060	2	111.1263	3.918	12	111.6375	4.050	162	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2{1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	112.1317	2.419	4	112.1317	5.853	4	112.9021	8.200	8	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.6725	3.420	4	113.6725	11.697	4	112.9021	8.200	8	111.6132	4.501	200	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3)	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	115.2580	0.000	1	115.2580	0.000	1	112.1463	12.563	3	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2{1|Au<2>,1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H){1|Au<2>,1|C<3>,1|H<1>,3|C<4>}	110.5905	3.256	2	110.5905	10.603	2	112.1463	12.563	3	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.9190	3.592	2	110.9190	12.903	2	111.0755	13.525	8	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	110.6895	5.588	2	111.1277	16.341	6	111.0755	13.525	8	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	111.5270	4.088	2	111.1277	16.341	6	111.0755	13.525	8	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.1665	5.749	2	111.1277	16.341	6	111.0755	13.525	8	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	110.9458	2.726	4	111.0122	5.432	8	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.9330	3.753	2	111.0122	5.432	8	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.2245	1.232	2	111.0122	5.432	8	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2{3|O<1>,4|N<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	112.4245	3.204	2	112.4245	10.265	2	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	112.7390	4.319	6	112.7390	18.657	6	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.5898	3.984	12	112.5898	15.872	12	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.5085	3.603	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.6319	2.611	8	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	110.9415	3.610	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.5105	2.896	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.2087	3.033	16	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	110.8395	3.123	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.1383	3.667	6	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.7084	3.041	40	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.0485	4.320	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.3660	3.858	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.7880	3.352	2	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.9928	3.226	4	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	111.6260	3.646	4	111.4135	8.672	92	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	110.2200	1.840	2	110.2200	3.385	2	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.9120	2.710	2	110.9120	7.342	2	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.7302	2.824	4	111.5841	9.885	10	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.7297	3.667	4	111.5841	9.885	10	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.0005	4.884	2	111.5841	9.885	10	111.5568	9.296	134	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:Si[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2	C(C[5]C[5,6a]Si[5,5]C)(H)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2{1|N<2>,2|H<1>,3|C<3>,4|C<4>}	C(C[5]C[5,6a]Si[5,5]C)(H)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.9355	4.696	2	109.9355	22.051	2	109.9355	22.051	2	111.5205	9.494	147	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	109.5382	5.675	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2{2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	109.9818	2.938	4	109.9818	8.631	4	109.7654	6.707	5	109.5382	5.675	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,6|H<1>}	108.9000	0.000	1	108.9000	0.000	1	109.7654	6.707	5	109.5382	5.675	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	108.0740	0.000	1	108.0740	0.000	1	108.3330	0.215	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	108.1550	0.000	1	108.1550	0.000	1	108.3330	0.215	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	109.0260	0.000	1	109.0260	0.000	1	108.3330	0.215	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	108.0770	0.000	1	108.0770	0.000	1	108.3330	0.215	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	107.7010	0.000	1	107.7010	0.000	1	108.6965	8.826	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,6|H<1>}	113.0930	0.000	1	113.0930	0.000	1	108.6965	8.826	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	106.9960	0.611	2	106.9960	0.373	2	108.6965	8.826	4	108.5297	3.425	9	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	109.0875	0.770	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	109.7080	0.000	1	109.7080	0.000	1	109.7080	0.000	1	109.0875	0.770	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Al)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Al<4>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Al)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.1274	2.565	8	111.1274	6.577	8	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<3>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	112.0992	2.101	10	112.0992	4.413	10	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<4>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	112.1289	2.095	8	112.2348	6.225	16	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<4>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	112.2645	2.829	4	112.2348	6.225	16	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<5>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	112.4168	3.579	4	112.2348	6.225	16	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Br<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.1497	3.506	4	112.1497	12.290	4	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<3>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.5779	2.475	12	111.8955	4.366	20	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<4>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	112.3719	1.337	8	111.8955	4.366	20	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Al<4>,1|C<3>,2|H<1>,3|C<4>}	110.9679	1.524	8	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	110.6997	1.957	10	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	111.2336	1.904	11	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	110.9578	1.331	26	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.7131	2.578	16	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	110.4633	1.794	4	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	111.1115	2.281	4	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	109.8415	2.413	4	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	110.4623	2.314	12	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	110.7478	2.204	12	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	110.5282	1.432	46	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	110.7450	2.219	4	110.7139	3.233	157	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.1930	3.458	4	111.1930	11.955	4	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.7613	1.683	4	111.7874	4.807	8	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<3>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.8135	2.895	4	111.7874	4.807	8	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<3>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	110.9620	2.455	48	111.0900	6.510	52	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<4>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	112.6257	3.582	4	111.0900	6.510	52	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	106.5380	0.000	1	106.5380	0.000	1	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2{2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	111.6905	1.699	2	111.6905	2.887	2	111.0639	4.640	282	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<5>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	112.3901	2.392	23	112.3901	5.722	23	112.3576	6.467	27	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<4>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	112.1707	3.746	4	112.1707	14.030	4	112.3576	6.467	27	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:N[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,4|H<1>}	112.6118	2.040	4	112.6118	4.160	4	112.6118	4.160	4	111.1953	4.916	313	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3)	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.3690	0.368	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH)	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,6|H<1>}	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	109.3690	0.368	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:3:4:	4:1:1:1:	3:4:3:	C[6,6]-4:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.8455	0.333	2	109.6517	0.168	3	109.6517	0.168	3	109.6517	0.168	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:3:4:	4:1:1:1:	3:4:3:	C[6,6]-4:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.2640	0.000	1	109.6517	0.168	3	109.6517	0.168	3	109.6517	0.168	3	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:3:4:	4:4:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|C<4>,2|H<1>}	111.6270	0.000	1	111.5580	3.995	7	111.5580	3.995	7	111.5580	3.995	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	109.9570	0.000	1	111.5580	3.995	7	111.5580	3.995	7	111.5580	3.995	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	109.1370	0.000	1	111.5580	3.995	7	111.5580	3.995	7	111.5580	3.995	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	112.6355	2.838	2	111.5580	3.995	7	111.5580	3.995	7	111.5580	3.995	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	112.4570	1.884	2	111.5580	3.995	7	111.5580	3.995	7	111.5580	3.995	7	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(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])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.0070	0.000	1	119.0070	0.000	1	115.0017	9.151	6	115.0017	9.151	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(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])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.2280	0.000	1	114.2280	0.000	1	115.0017	9.151	6	115.0017	9.151	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(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])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.8205	1.993	2	111.8205	3.973	2	115.0017	9.151	6	115.0017	9.151	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(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])(CCHH)(H){1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.5670	0.048	2	116.5670	0.002	2	115.0017	9.151	6	115.0017	9.151	6	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H)	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H){1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(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])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:2:	4:3:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:C-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN)	C(C[5]C[5,6a]C[5,5]C)(COO)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(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])(CCHH)(CN){1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]C)(COO)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:2:	4:4:1:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(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])(CCHH)(CN){1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.3020	0.402	2	111.3020	0.161	2	111.3020	0.161	2	111.3020	0.161	2	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	3:4:3:	C[4,5,6]-4:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	110.3021	2.788	7	110.3021	7.771	7	110.3021	7.771	7	110.8940	9.463	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(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])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	110.8940	9.463	8	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:4:	4:3:1:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(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])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5,6a]	6:3:3:4:	4:1:1:1:	4:3:3:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	111.9901	5.436	3282	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:2:2:4:	4:4:1:1:	3:4:2:	C[5a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH)	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5]O[5]2C)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH){2|C<3>,5|H<1>}	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5]O[5]2C)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<4>}	113.5265	0.050	2	113.5265	0.003	2	113.5265	0.003	2	113.5265	0.003	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:2:2:4:	4:4:4:1:	4:2:2:	C[5a]-3:N[5]-2:S[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])(CCCH)	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])(CCCH){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:2:4:2:	4:3:2:1:	4:3:2:	C[5a]-3:O[5]-2:C-4:N[5]-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5])	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	N[5a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5a]N[5]O[5])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C(C[5]C[5a]N[5]O[5])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:2:4:	4:1:1:1:	4:3:2:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	C(C[5]C[5a]C[5]O[5])(F)3	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	C(C[5]C[5a]C[5]O[5])(F)3	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	111.7690	0.572	3	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:2:4:	4:1:1:1:	4:3:2:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C(C[5]C[5a]N[5]O[5])(Cl)3	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5a]N[5]O[5])(Cl)3	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	112.1995	0.180	2	112.1995	0.033	2	112.1995	0.033	2	111.7690	0.572	3	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:2:4:	4:3:1:1:	4:2:2:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH)	C(C[5]C[5a]N[5]S[5])(CCH)(H)2	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH){4|C<3>}	C(C[5]C[5a]N[5]S[5])(CCH)(H)2	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:2:4:	4:4:4:1:	4:2:2:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]H)(S[5]C[5])(CCCH)	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]H)(S[5]C[5])(CCCH){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	110.4790	0.000	1	110.4790	0.000	1	110.4790	0.000	1	110.4790	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	114.6745	4.384	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C(C[5]C[5a]C[5]N[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C)	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(C[5]C[5a]C[5]N[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C){1|O<1>,3|H<1>,4|C<3>}	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	114.6745	4.384	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[5a]C[5]N[5])(H)3	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|H<1>,1|S<1>,3|C<3>}	C(C[5]C[5a]C[5]N[5])(H)3	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:2:4:	N[5]-3:N[5]-3:C[5a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[5]-4:	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	C(C[5]C[5a]N[5]2)(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C)	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	C(C[5]C[5a]N[5]2)(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C){2|C<4>,4|C<3>}	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.0610	0.000	1	113.0610	0.000	1	113.0610	0.000	1	113.0610	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	111.2810	1.047	6	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	111.2810	1.047	6	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.2160	0.267	2	112.2160	0.071	2	112.2160	0.071	2	111.2810	1.047	6	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.5390	0.741	2	110.5390	0.549	2	110.5390	0.549	2	111.2810	1.047	6	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:N-3:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:3:3:1:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	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(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|N<2>,4|C<3>}	107.9990	0.000	1	107.9990	0.000	1	110.0130	8.112	2	110.0130	8.112	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	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(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|O<1>,4|C<3>}	112.0270	0.000	1	112.0270	0.000	1	110.0130	8.112	2	110.0130	8.112	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	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(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.0965	0.245	2	112.0965	0.060	2	112.0965	0.060	2	112.0965	0.060	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C(C[5]C[5a]C[5]N[5])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	C(C[5]C[5a]C[5]N[5])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	110.8020	0.000	1	110.3623	0.191	3	110.3623	0.191	3	110.7974	0.541	5	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.3560	0.000	1	110.3623	0.191	3	110.3623	0.191	3	110.7974	0.541	5	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.9290	0.000	1	110.3623	0.191	3	110.3623	0.191	3	110.7974	0.541	5	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,3|H<1>,5|C<3>}	111.4500	0.604	2	111.4500	0.365	2	111.4500	0.365	2	110.7974	0.541	5	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:3:4:4:	4:1:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	C(C[5]N[5,6]C[5a]C[5])(H)3	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	C(C[5]N[5,6]C[5a]C[5])(H)3	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<4>,2|H<1>,3|C<3>}	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:2:4:	4:1:1:1:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(C[5]C[5a]C[5]O[5])(H)3	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|S<1>,2|H<1>,4|C<3>}	C(C[5]C[5a]C[5]O[5])(H)3	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:2:4:	4:2:2:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	C(C[5]C[5a]C[5]N[5])(OC)2(H)	C[5a](C[5]C[5]N[5]C)(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])(CHOO){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5a]C[5]N[5])(OC)2(H)	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.9270	0.000	1	110.9270	0.000	1	110.9600	0.251	3	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.4760	0.000	1	110.4760	0.000	1	110.9600	0.251	3	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	111.4770	0.000	1	111.4770	0.000	1	110.9600	0.251	3	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,4|H<1>}	110.4405	0.203	2	110.4405	0.041	2	111.0966	1.027	5	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,3|H<1>}	110.2430	0.000	1	110.2430	0.000	1	111.0966	1.027	5	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|O<1>,2|C<3>,3|H<1>}	112.4370	0.000	1	112.1795	0.133	2	111.0966	1.027	5	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.9220	0.000	1	112.1795	0.133	2	111.0966	1.027	5	111.0454	0.664	8	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.4390	0.000	1	109.6740	0.110	2	109.6740	0.110	2	109.6740	0.110	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	109.9090	0.000	1	109.6740	0.110	2	109.6740	0.110	2	109.6740	0.110	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:3:3:1:	3:2:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.6530	0.035	2	109.6530	0.001	2	109.9810	0.323	3	109.9810	0.323	3	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:3:4:	4:3:3:1:	3:2:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|C<3>,3|H<1>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.6370	0.000	1	110.6370	0.000	1	109.9810	0.323	3	109.9810	0.323	3	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.1535	0.064	2	109.1535	0.004	2	109.1535	0.004	2	109.1535	0.004	2	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	C(C[5]C[5a]C[5]2)(CC[6a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5a]C[5]2)(CC[6a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,5|H<1>}	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	111.2571	2.260	57	112.0204	6.203	4444
474	490	727	0:SP3_SP2_SP3	C[5]	C	C[5a]	4:3:2:4:	4:1:1:1:	4:3:2:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3)	C(C[5]C[5a]C[5]O[5])(H)3	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3){1|H<1>,6|C<3>}	C(C[5]C[5a]C[5]O[5])(H)3	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	111.2571	2.260	57	112.0204	6.203	4444